UCSF

ZINC38003323

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 3.80 7.5 -35.1 2 2 1 16 318.304 5
Mid Mid (pH 6-8) 3.80 8.69 -105.41 3 2 2 21 319.312 5
Mid Mid (pH 6-8) 3.80 6.22 -41.32 2 2 1 20 318.304 5

Activity (Go SEA)

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