UCSF

ZINC19537195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 24 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) 4.19 11.78 -37.13 1 2 1 8 317.456 4
Mid Mid (pH 6-8) 4.19 9.44 -4.04 0 2 0 6 316.448 4
Mid Mid (pH 6-8) 4.19 11.73 -37.67 1 2 1 8 317.456 4

Activity (Go SEA)

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