UCSF

ZINC40926630

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 2.80 7.22 -47.7 0 4 -1 58 237.304 3
Lo Low (pH 4.5-6) 2.80 7.33 -48.9 1 4 0 59 238.312 3

Activity (Go SEA)

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