UCSF

ZINC34876246

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 28 No

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Annotations

Vendors

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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) -0.13 1.72 -144.9 4 14 -2 210 455.282 7
Lo Low (pH 4.5-6) -0.13 0.55 -60.6 5 14 -1 207 456.29 7

Activity (Go SEA)

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