UCSF

ZINC33811981

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 No

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) 1.53 11.87 -116.39 1 9 0 116 503.65 8
Mid Mid (pH 6-8) 1.53 9.4 -65.71 0 9 -1 114 502.642 8
Lo Low (pH 4.5-6) 1.53 10.75 -80.67 2 9 1 113 504.658 8

Activity (Go SEA)

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