UCSF

ZINC00930343

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 27 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) 3.01 9.12 -8.56 0 4 0 46 375.497 3
Lo Low (pH 4.5-6) 3.01 9.4 -37.77 1 4 1 47 376.505 3

Activity (Go SEA)

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