UCSF

ZINC33760829

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 No

Download: MOL2 SDF SMILES Flexibase

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) 2.97 9.31 -51.16 0 8 -1 95 498.559 9
Mid Mid (pH 6-8) 2.97 11.64 -71.84 1 8 0 96 499.567 9
Lo Low (pH 4.5-6) 2.97 10.35 -61.39 2 8 1 93 500.575 9

Activity (Go SEA)

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