UCSF

ZINC53156973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 14 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) 1.00 0.69 -11 3 3 0 55 216.643 4
Lo Low (pH 4.5-6) 1.00 2.04 -53.81 4 3 1 60 217.651 4

Activity (Go SEA)

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