UCSF

ZINC05686083

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 17 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) 1.27 3.71 -14.99 1 5 0 68 231.255 0
Mid Mid (pH 6-8) 1.73 2.6 -40.76 0 5 -1 71 230.247 0

Activity (Go SEA)

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