UCSF

ZINC37228718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 0.84 4.44 -39.39 3 5 1 58 272.376 6
Mid Mid (pH 6-8) 0.84 3.34 -42.78 3 5 1 61 272.376 6
Lo Low (pH 4.5-6) 0.84 5.79 -118.02 4 5 2 63 273.384 6

Activity (Go SEA)

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