UCSF

ZINC13207428

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 19 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) 1.57 8.14 -13.53 0 4 0 48 251.289 3
Lo Low (pH 4.5-6) 1.57 8.42 -43.51 1 4 1 49 252.297 3

Activity (Go SEA)

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