UCSF

ZINC37095963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.09 4.38 -50.61 2 4 1 40 214.333 3
Mid Mid (pH 6-8) 1.09 2.89 -8.5 1 4 0 36 213.325 3

Activity (Go SEA)

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