UCSF

ZINC45694431

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 0.30 4.62 -10.31 1 6 0 76 270.329 8
Mid Mid (pH 6-8) 0.30 5.88 -57.76 2 6 1 80 271.337 8

Activity (Go SEA)

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