UCSF

ZINC09086219

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 3.75 9.62 -57.47 1 9 -1 129 507.544 8
Mid Mid (pH 6-8) 3.17 9.14 -22.47 1 9 0 123 508.552 8
Mid Mid (pH 6-8) 4.20 8.61 -21.64 2 9 0 126 508.552 7

Activity (Go SEA)

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