UCSF

ZINC45288394

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 28 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) 1.56 2.88 -61.35 5 7 1 103 386.472 10
Hi High (pH 8-9.5) 1.56 3.68 -84.27 4 7 0 106 385.464 10

Activity (Go SEA)

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