UCSF

ZINC48533059

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 27 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) -3.49 -3.8 -259.98 3 15 -3 235 425.163 6
Hi High (pH 8-9.5) -3.04 -5.88 -323.35 2 15 -4 238 424.155 6
Mid Mid (pH 6-8) -3.49 -4.95 -139.99 4 15 -2 232 426.171 6

Activity (Go SEA)

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