UCSF

ZINC36876295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.72 4.65 -49.48 4 3 1 56 281.177 3
Mid Mid (pH 6-8) 1.72 5 -110.81 5 3 2 58 282.185 3
Lo Low (pH 4.5-6) 1.72 5 -110.79 5 3 2 58 282.185 3

Activity (Go SEA)

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