UCSF

ZINC34627197

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 No

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) 3.96 7.29 -5.61 2 3 0 38 354.191 4
Lo Low (pH 4.5-6) 3.96 7.13 -52.42 3 3 1 40 355.199 4

Activity (Go SEA)

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