UCSF

ZINC34086991

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 30 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) 5.17 15.11 -43.52 2 2 1 16 397.586 5
Mid Mid (pH 6-8) 5.17 13.84 -37.01 2 2 1 20 397.586 5
Mid Mid (pH 6-8) 5.17 12.87 -3.62 1 2 0 15 396.578 5

Activity (Go SEA)

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