UCSF

ZINC06382368

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 30 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 10.19 -56.8 0 8 -1 115 409.418 7
Mid Mid (pH 6-8) 3.12 1.5 -11.69 1 8 0 112 410.426 7
Mid Mid (pH 6-8) 2.54 1.48 -18.18 0 8 0 109 410.426 7

Activity (Go SEA)

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