UCSF

ZINC37996312

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 1.48 4.71 -82.79 5 3 2 54 215.3 4
Mid Mid (pH 6-8) 1.48 4.23 -47.07 4 3 1 53 214.292 4

Activity (Go SEA)

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