UCSF

ZINC36770931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 0.92 3.62 -56.18 3 4 1 53 272.372 6
Mid Mid (pH 6-8) 0.92 5.46 -126.06 4 4 2 54 273.38 6

Activity (Go SEA)

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