UCSF

ZINC35036990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.52 5.57 -35.43 1 4 1 38 237.323 5
Mid Mid (pH 6-8) 1.52 3.29 -6.75 0 4 0 37 236.315 5
Mid Mid (pH 6-8) 1.52 5.49 -34.75 1 4 1 38 237.323 5

Activity (Go SEA)

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