UCSF

ZINC13760474

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 20 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) 0.72 2.3 -13.66 5 7 0 117 276.296 4
Mid Mid (pH 6-8) 0.72 2.6 -42 6 7 1 118 277.304 4
Mid Mid (pH 6-8) 0.72 -1.11 -40.38 6 7 1 118 277.304 4

Activity (Go SEA)

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