UCSF

ZINC45664102

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.77 8.81 -75.96 3 3 2 21 269.477 8
Mid Mid (pH 6-8) 2.77 7.73 -93.93 3 3 2 24 269.477 8
Lo Low (pH 4.5-6) 2.77 9.99 -171.51 4 3 3 25 270.485 8

Activity (Go SEA)

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