UCSF

ZINC44690533

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.72 3.18 -38.39 3 4 1 55 254.35 7
Hi High (pH 8-9.5) 2.72 3.94 -40.94 2 4 0 58 253.342 7

Activity (Go SEA)

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