UCSF

ZINC12538413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 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) 3.53 6.73 -14.56 1 6 0 85 390.848 5
Lo Low (pH 4.5-6) 3.53 7.21 -40.13 2 6 1 87 391.856 5

Activity (Go SEA)

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