UCSF

ZINC00011723

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 16 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) 1.30 1.49 -40.72 1 6 -1 92 221.144 0
Mid Mid (pH 6-8) 1.30 0.36 -10.36 2 6 0 89 222.152 0
Lo Low (pH 4.5-6) 1.30 0.58 -7.73 2 6 0 89 222.152 0

Activity (Go SEA)

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