UCSF

ZINC09380400

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 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) 6.08 12.45 -57.81 0 4 -1 60 455.372 8
Mid Mid (pH 6-8) 6.53 11.9 -25.5 1 4 0 58 456.38 7
Mid Mid (pH 6-8) 5.50 0.43 -19.65 0 4 0 54 456.38 8

Activity (Go SEA)

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