UCSF

ZINC12983614

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 1.39 5.11 -20.22 3 4 0 72 294.354 3
Mid Mid (pH 6-8) 2.55 2.07 -34.93 4 4 1 78 295.362 3

Activity (Go SEA)

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