UCSF

ZINC38046868

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 18 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) 1.12 4.05 -49.88 4 4 1 57 247.366 7
Mid Mid (pH 6-8) 1.12 4.55 -83.42 5 4 2 59 248.374 7
Mid Mid (pH 6-8) 1.12 5.4 -119.02 5 4 2 62 248.374 7
Lo Low (pH 4.5-6) 1.12 5.91 -198.42 6 4 3 63 249.382 7

Activity (Go SEA)

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