UCSF

ZINC54041180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 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) 2.81 10.89 -62.76 2 5 1 52 334.447 6
Mid Mid (pH 6-8) 2.81 9.53 -15.42 1 5 0 48 333.439 6
Lo Low (pH 4.5-6) 2.81 11.33 -112.8 3 5 2 54 335.455 6

Activity (Go SEA)

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