UCSF

ZINC44809127

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 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) 2.83 6.08 -37.64 2 4 1 57 254.398 7
Hi High (pH 8-9.5) 3.01 4.02 -30.01 1 4 0 64 253.39 7

Activity (Go SEA)

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