UCSF

ZINC33923253

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.14 10.98 -64.21 2 8 -1 134 486.298 6
Hi High (pH 8-9.5) -0.14 10.03 -123.72 1 8 -2 130 485.29 6
Mid Mid (pH 6-8) -0.14 8.99 -29.52 3 8 0 131 487.306 6

Activity (Go SEA)

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