UCSF

ZINC34821531

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 18 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) 2.84 8.22 -80.09 3 3 2 30 252.402 8
Hi High (pH 8-9.5) 2.84 5.75 -41.65 2 3 1 29 251.394 8

Activity (Go SEA)

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