UCSF

ZINC06196403

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 36 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) 7.37 15.89 -17.21 1 5 0 65 485.624 7
Mid Mid (pH 6-8) 7.33 0.46 -7.87 0 5 0 64 485.624 7

Activity (Go SEA)

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