UCSF

ZINC11784739

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 36 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) 2.23 -0.18 -70.02 2 9 1 92 494.616 10
Mid Mid (pH 6-8) 2.23 0.1 -116.29 3 9 2 93 495.624 10

Activity (Go SEA)

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