UCSF

ZINC00928589

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 23 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) 2.24 6.11 -15.22 1 6 0 65 309.325 3
Lo Low (pH 4.5-6) 2.24 6.55 -35.04 2 6 1 66 310.333 3

Activity (Go SEA)

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