UCSF

ZINC01023825

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 13 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) 1.06 2.98 -12.22 4 4 0 78 178.17 0
Mid Mid (pH 6-8) 1.06 -2.34 -31.26 5 4 1 79 179.178 0
Mid Mid (pH 6-8) 1.06 3.32 -26.65 5 4 1 79 179.178 0

Activity (Go SEA)

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