UCSF

ZINC09046528

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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) 3.85 8.68 -60.05 1 9 -1 129 507.544 9
Mid Mid (pH 6-8) 3.27 8.98 -14.58 1 9 0 123 508.552 9
Mid Mid (pH 6-8) 4.30 8.96 -15.93 2 9 0 126 508.552 8

Activity (Go SEA)

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