UCSF

ZINC00928325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 26 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) 3.33 -1.37 -10.58 0 5 0 51 372.49 3
Lo Low (pH 4.5-6) 3.33 -1.23 -33.29 1 5 1 52 373.498 3

Activity (Go SEA)

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