UCSF

ZINC36207131

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 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) 3.12 6.81 -16.29 2 7 0 88 465.575 10
Mid Mid (pH 6-8) 3.12 8.63 -52.12 3 7 1 89 466.583 10

Activity (Go SEA)

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