UCSF

ZINC04999628

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 26 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) 3.40 8.34 -29.53 1 7 0 86 372.45 7
Mid Mid (pH 6-8) 3.08 -1.09 -58.11 1 7 1 85 373.458 7

Activity (Go SEA)

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