UCSF

ZINC19973604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) -2.94 7.88 -31.24 2 9 1 97 425.513 5
Mid Mid (pH 6-8) -2.94 10.27 -85.41 3 9 2 98 426.521 5

Activity (Go SEA)

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