UCSF

ZINC00615684

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 4.76 16.2 -9.7 1 6 0 57 324.432 4
Lo Low (pH 4.5-6) 4.76 16.63 -23.18 2 6 1 58 325.44 4

Activity (Go SEA)

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