UCSF

ZINC36996916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.89 9.13 -32.62 2 2 1 16 324.286 3
Mid Mid (pH 6-8) 3.89 7.87 -39.12 2 2 1 20 324.286 3
Lo Low (pH 4.5-6) 3.89 10.11 -113.73 3 2 2 21 325.294 3

Activity (Go SEA)

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