UCSF

ZINC19368295

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 2.08 5.6 -34.36 1 4 1 20 304.458 4
Mid Mid (pH 6-8) 2.09 5.65 -39.19 1 4 1 20 304.458 4
Mid Mid (pH 6-8) 2.09 7.91 -105.98 2 4 2 21 305.466 4

Activity (Go SEA)

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