UCSF

ZINC23119740

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 23 No

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) 0.89 6.49 -46.58 1 5 1 45 324.351 3
Ref Reference (pH 7) 0.89 6.23 -43.15 1 5 1 45 324.351 3
Mid Mid (pH 6-8) 0.89 4.22 -10.42 0 5 0 44 323.343 3
Mid Mid (pH 6-8) 0.89 6.42 -51.35 1 5 1 45 324.351 3
Mid Mid (pH 6-8) 0.89 3.96 -10.62 0 5 0 44 323.343 3

Activity (Go SEA)

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