UCSF

ZINC38262105

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 30 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) 5.57 15.11 -39.89 2 4 1 67 399.514 9
Mid Mid (pH 6-8) 5.57 13.91 -11.19 1 4 0 62 398.506 9

Activity (Go SEA)

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