UCSF

ZINC62982012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 15 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) 1.13 5.12 -103.76 3 3 2 29 214.353 3
Mid Mid (pH 6-8) 1.13 2.96 -33.06 2 3 1 28 213.345 3
Mid Mid (pH 6-8) 1.13 2.59 -31.99 2 3 1 28 213.345 3

Activity (Go SEA)

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