UCSF

ZINC34943952

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 No

Popular Name: (2R,4Z)-4-[(2E)-2-[(2S)-2-carboxy-5,6-dihydroxy-indolin-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-p (2R,4Z)-4-[(2E)-2-[(2S)-2-carbox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.04 4.77 -116.66 3 10 -2 176 386.316 4 ↓
Hi High (pH 8-9.5) -5.04 5.69 -170.97 2 10 -3 179 385.308 4 ↓
Hi High (pH 8-9.5) -5.04 6.35 -103.08 3 10 -2 183 386.316 4 ↓
Lo Low (pH 4.5-6) -5.04 2.77 -65.01 4 10 -1 173 387.324 4 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )