UCSF

ZINC04008085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 19 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) 3.40 1.41 -35.67 1 2 1 17 257.401 3
Lo Low (pH 4.5-6) 3.40 1.52 -100.33 2 2 2 18 258.409 3

Activity (Go SEA)

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