UCSF

ZINC19845237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 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) 0.12 5.28 -57.85 1 5 0 81 205.217 4
Mid Mid (pH 6-8) 0.12 4.85 -49.85 0 5 -1 80 204.209 4

Activity (Go SEA)

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