UCSF

ZINC34964006

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.98 7.01 -30.29 3 3 1 45 236.726 2
Mid Mid (pH 6-8) 2.98 6.9 -5.59 2 3 0 44 235.718 2

Activity (Go SEA)

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