UCSF

ZINC06786189

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 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) 3.12 7.86 -58.49 0 7 -1 88 422.457 10
Mid Mid (pH 6-8) 3.57 1.05 -17.66 1 7 0 85 423.465 9

Activity (Go SEA)

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