UCSF

ZINC04990253

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 22 Yes

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) 2.69 9.19 -29.02 1 5 1 49 308.398 7
Hi High (pH 8-9.5) 2.69 7.05 -7.28 0 5 0 48 307.39 7

Activity (Go SEA)

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