UCSF

ZINC34476669

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 23 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) 1.62 8.37 -140.97 0 6 -2 94 317.272 2
Mid Mid (pH 6-8) 1.62 7.38 -65.44 1 6 -1 92 318.28 2
Mid Mid (pH 6-8) 1.62 6.36 -64.97 1 6 -1 92 318.28 2

Activity (Go SEA)

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