UCSF

ZINC45912090

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 22 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) 3.56 8.02 -9.7 2 3 0 41 316.832 5
Mid Mid (pH 6-8) 3.56 9.43 -45.62 3 3 1 46 317.84 5

Activity (Go SEA)

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