UCSF

ZINC12363309

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 22 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) 4.21 10.63 -33.94 1 2 1 8 301.498 3
Mid Mid (pH 6-8) 4.21 12.94 -105.84 2 2 2 9 302.506 3
Mid Mid (pH 6-8) 4.21 10.7 -36.65 1 2 1 8 301.498 3

Activity (Go SEA)

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