UCSF

ZINC52635920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 23 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) 3.07 10.26 -43.44 2 3 1 40 306.433 5
Lo Low (pH 4.5-6) 3.07 9.23 -52.71 2 3 1 44 306.433 5
Lo Low (pH 4.5-6) 3.07 11.46 -128.05 3 3 2 45 307.441 5

Activity (Go SEA)

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