UCSF

ZINC37076295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.73 10.34 -35.35 2 3 1 43 304.435 9
Mid Mid (pH 6-8) 3.73 9.37 -6.07 1 3 0 38 303.427 9

Activity (Go SEA)

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