UCSF

ZINC02820048

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 29 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) 5.31 12.28 -17.09 1 8 0 120 386.367 5
Mid Mid (pH 6-8) 5.31 0.67 -59.8 2 8 1 121 387.375 5

Activity (Go SEA)

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