UCSF

ZINC37870548

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 0.82 1.3 -36.34 4 5 1 78 251.306 6
Mid Mid (pH 6-8) 0.82 0.4 -10.32 3 5 0 74 250.298 6

Activity (Go SEA)

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