UCSF

ZINC39489991

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 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) 1.20 2.81 -35.54 2 4 1 41 284.449 5
Mid Mid (pH 6-8) 1.20 0.52 -6.28 1 4 0 40 283.441 5
Mid Mid (pH 6-8) 1.20 2.8 -37.26 2 4 1 41 284.449 5

Activity (Go SEA)

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