UCSF

ZINC35633412

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 36 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) 1.23 8.52 -38.84 1 8 1 75 531.724 11
Mid Mid (pH 6-8) 1.23 10.76 -114.79 2 8 2 76 532.732 11

Activity (Go SEA)

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