UCSF

ZINC38218676

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 14 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) 1.48 5.09 -45.81 1 4 -1 69 191.21 1
Mid Mid (pH 6-8) 1.48 5.11 -55.1 1 4 -1 69 191.21 1

Activity (Go SEA)

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