UCSF

ZINC13062720

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2008 34 Yes

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) 5.00 17.03 -15.81 0 8 0 88 460.534 9
Mid Mid (pH 6-8) 5.00 17.54 -53.58 1 8 1 89 461.542 9

Activity (Go SEA)

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