UCSF

ZINC00566949

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) 2.55 7.59 -17.12 0 6 0 69 336.376 3
Lo Low (pH 4.5-6) 2.55 8.04 -46.57 1 6 1 71 337.384 3

Activity (Go SEA)

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