UCSF

ZINC22938133

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 23 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) 3.40 8.25 -38.86 3 3 1 38 315.412 5
Hi High (pH 8-9.5) 3.40 6.94 -3.65 2 3 0 33 314.404 5
Mid Mid (pH 6-8) 3.40 7.89 -31.65 3 3 1 38 315.412 5

Activity (Go SEA)

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