UCSF

ZINC00407771

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 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) 3.82 12.45 -12.96 0 4 0 43 322.799 2
Mid Mid (pH 6-8) 3.82 13.27 -25.32 2 4 1 48 323.807 2
Mid Mid (pH 6-8) 3.82 12.92 -25.95 1 4 1 44 323.807 2
Lo Low (pH 4.5-6) 3.82 12.79 -31.9 1 4 1 45 323.807 2

Activity (Go SEA)

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