UCSF

ZINC36876322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) 0.47 2.71 -50.13 4 3 1 56 194.283 3
Lo Low (pH 4.5-6) 0.47 3.12 -107.5 5 3 2 58 195.291 3
Lo Low (pH 4.5-6) 0.47 3.1 -107.22 5 3 2 58 195.291 3

Activity (Go SEA)

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