UCSF

ZINC00417917

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 3.61 10.24 -10.87 1 4 0 42 292.386 3
Lo Low (pH 4.5-6) 3.61 10.69 -24.37 2 4 1 43 293.394 3
Lo Low (pH 4.5-6) 3.61 10.37 -30.36 2 4 1 47 293.394 3

Activity (Go SEA)

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