UCSF

ZINC34829951

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 33 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) 5.05 13.46 -48.11 2 6 1 57 469.675 6
Mid Mid (pH 6-8) 5.05 11.74 -14.2 1 6 0 56 468.667 6

Activity (Go SEA)

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