UCSF

ZINC21784378

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 25 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) 3.52 6.64 -10.78 2 6 0 84 422.304 5
Mid Mid (pH 6-8) 3.52 6.11 -16.46 2 6 0 84 422.304 5
Mid Mid (pH 6-8) 3.98 4.72 -43.61 1 6 -1 87 421.296 5

Activity (Go SEA)

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