UCSF

ZINC22917972

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 19 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) 0.34 -1.81 -7.4 2 5 0 56 272.389 7
Mid Mid (pH 6-8) 0.34 0.56 -41.09 3 5 1 57 273.397 7
Mid Mid (pH 6-8) 0.34 0.59 -36.17 3 5 1 57 273.397 7

Activity (Go SEA)

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