UCSF

ZINC40498311

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 18 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) 2.60 4.36 -4.25 0 3 0 22 267.756 1
Mid Mid (pH 6-8) 2.60 6.64 -36.68 1 3 1 23 268.764 1

Activity (Go SEA)

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