UCSF

ZINC13127729

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 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) 2.99 9.51 -9.02 1 6 0 68 305.341 3
Ref Reference (pH 7) 2.99 9.2 -16.97 0 6 0 65 305.341 3
Mid Mid (pH 6-8) 2.99 9.73 -30.08 2 6 1 70 306.349 3
Mid Mid (pH 6-8) 2.99 9.52 -40.35 1 6 1 67 306.349 3

Activity (Go SEA)

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