UCSF

ZINC42764532

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 1.80 4.95 -42.25 2 5 1 67 293.387 9
Hi High (pH 8-9.5) 1.80 2.73 -10.4 1 5 0 66 292.379 9

Activity (Go SEA)

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