UCSF

ZINC19731888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 17 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) 0.97 3.6 -37.07 3 4 1 43 236.339 4
Mid Mid (pH 6-8) 0.97 3.53 -34.76 3 4 1 43 236.339 4
Mid Mid (pH 6-8) 0.97 1.13 -6.29 2 4 0 42 235.331 4

Activity (Go SEA)

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