UCSF

ZINC09379938

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 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) 4.18 9.67 -61.68 1 7 -1 99 486.544 10
Mid Mid (pH 6-8) 3.60 -1.5 -21.87 1 7 0 93 487.552 10
Mid Mid (pH 6-8) 4.63 9.29 -20.29 2 7 0 96 487.552 9

Activity (Go SEA)

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