UCSF

ZINC34963985

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) 2.38 5.8 -30.07 3 4 1 54 232.307 3
Mid Mid (pH 6-8) 2.38 5.69 -8.25 2 4 0 53 231.299 3

Activity (Go SEA)

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