UCSF

ZINC01464660

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 35 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) 4.68 12.95 -46.11 0 7 -1 95 482.541 6
Mid Mid (pH 6-8) 5.13 0.65 -25.25 1 7 0 92 483.549 5
Mid Mid (pH 6-8) 4.10 0.94 -17.38 0 7 0 89 483.549 6

Activity (Go SEA)

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