UCSF

ZINC09087352

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 33 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) 2.42 6.58 -68.12 1 7 -1 93 447.511 8
Mid Mid (pH 6-8) 2.42 8.93 -82.11 2 7 0 94 448.519 8

Activity (Go SEA)

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