UCSF

ZINC00608136

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 26 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) 4.42 10.08 -46.32 2 3 1 42 358.546 6
Hi High (pH 8-9.5) 4.42 8.11 -7.97 1 3 0 41 357.538 6

Activity (Go SEA)

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