UCSF

ZINC09046818

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 31 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) 3.90 10.89 -72.45 1 6 0 74 487.394 8
Mid Mid (pH 6-8) 3.31 0.82 -48.21 1 6 1 68 488.402 8

Activity (Go SEA)

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