UCSF

ZINC36876235

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 0.99 4.06 -101.18 5 4 2 67 233.315 5
Mid Mid (pH 6-8) 0.99 3.63 -49.5 4 4 1 66 232.307 5

Activity (Go SEA)

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