UCSF

ZINC22937760

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 7.55 21.29 -30.54 1 2 1 8 497.706 12
Mid Mid (pH 6-8) 7.55 19.6 -2.87 0 2 0 6 496.698 12
Mid Mid (pH 6-8) 7.55 17.2 -33.53 1 2 1 8 497.706 12

Activity (Go SEA)

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