UCSF

ZINC44542431

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 26 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) 1.89 10.7 -15.21 1 7 0 74 352.442 4
Mid Mid (pH 6-8) 1.89 10.83 -36.32 2 7 1 75 353.45 4

Activity (Go SEA)

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