UCSF

ZINC44032140

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 38 No

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) 3.41 10.99 -13.02 1 7 0 73 520.649 6
Mid Mid (pH 6-8) 3.41 13.36 -52.51 2 7 1 74 521.657 6

Activity (Go SEA)

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