UCSF

ZINC62967307

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 14 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) 0.74 2.44 -27.7 2 3 1 28 199.318 2
Mid Mid (pH 6-8) 0.74 2.66 -32.84 2 3 1 28 199.318 2
Mid Mid (pH 6-8) 0.74 4.83 -96.2 3 3 2 29 200.326 2

Activity (Go SEA)

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