UCSF

ZINC40335009

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 20 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) -1.33 -4.03 -16.68 4 9 0 124 302.36 4
Mid Mid (pH 6-8) -1.33 -1.91 -52.47 5 9 1 126 303.368 4

Activity (Go SEA)

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