UCSF

ZINC08980488

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 36 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) 5.55 11.8 -58.17 0 7 -1 92 499.568 7
Mid Mid (pH 6-8) 5.99 11.13 -18.91 1 7 0 89 500.576 6
Mid Mid (pH 6-8) 4.96 12.03 -12.75 0 7 0 86 500.576 7

Activity (Go SEA)

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