UCSF

ZINC40791248

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 22 No

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) 1.83 2.59 -11.81 1 4 0 50 362.223 0
Mid Mid (pH 6-8) 1.83 4.65 -59.59 2 4 1 51 363.231 0

Activity (Go SEA)

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