UCSF

ZINC48822931

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 18 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) 1.14 4.85 -84.93 3 6 0 89 257.334 7
Mid Mid (pH 6-8) 1.14 3.5 -51.82 2 6 -1 84 256.326 7
Lo Low (pH 4.5-6) 1.14 2.87 -55.34 4 6 1 86 258.342 7

Activity (Go SEA)

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