UCSF

ZINC06088128

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 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) 2.88 8.56 -49.35 2 6 -1 102 381.367 2
Mid Mid (pH 6-8) 3.73 6.98 -21.27 3 6 0 104 382.375 2

Activity (Go SEA)

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