UCSF

ZINC45654256

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.67 6.14 -44.33 2 3 1 29 342.301 5
Hi High (pH 8-9.5) 3.67 5.1 -3.42 1 3 0 24 341.293 5
Mid Mid (pH 6-8) 3.67 7.45 -35.59 2 3 1 26 342.301 5

Activity (Go SEA)

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