UCSF

ZINC37199806

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 2.99 7.64 -26.55 2 3 1 31 264.418 6
Mid Mid (pH 6-8) 2.99 6.98 -7.9 1 3 0 30 263.41 6
Mid Mid (pH 6-8) 2.99 8.15 -36.4 2 3 1 34 264.418 6

Activity (Go SEA)

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