UCSF

ZINC40623483

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.99 9.86 -110.67 3 2 2 21 303.277 5
Hi High (pH 8-9.5) 3.99 8.5 -33.13 2 2 1 16 302.269 5
Mid Mid (pH 6-8) 3.99 7.4 -48.26 2 2 1 20 302.269 5

Activity (Go SEA)

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