UCSF

ZINC13660274

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 23 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) 5.95 9.96 -8.63 1 3 0 45 320.417 3
Mid Mid (pH 6-8) 5.46 9.45 -44.99 0 3 -1 44 319.409 4

Activity (Go SEA)

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