UCSF

ZINC34681549

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 5.64 14.9 -44.7 2 5 1 50 441.599 7
Mid Mid (pH 6-8) 5.64 12.7 -10.41 1 5 0 48 440.591 7

Activity (Go SEA)

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