UCSF

ZINC44694019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.43 5.65 -35.62 2 4 1 35 279.404 9
Mid Mid (pH 6-8) 1.43 4.41 -38.05 2 4 1 38 279.404 9
Lo Low (pH 4.5-6) 1.43 6.86 -113.31 3 4 2 40 280.412 9

Activity (Go SEA)

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