UCSF

ZINC06728036

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 30 No

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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) 2.60 -0.22 -16.05 1 6 0 79 400.434 6
Mid Mid (pH 6-8) 2.01 -0.32 -24.26 0 6 0 76 400.434 6
Lo Low (pH 4.5-6) 3.04 -0.48 -55.75 2 6 1 80 401.442 5

Activity (Go SEA)

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