UCSF

ZINC08494805

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2006 27 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) 3.19 6.98 -11.28 2 7 0 93 383.477 6
Hi High (pH 8-9.5) 3.19 7.74 -42.79 1 7 -1 96 382.469 6

Activity (Go SEA)

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