UCSF

ZINC36222704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) 1.34 3.77 -56.13 0 5 -1 67 205.193 2
Mid Mid (pH 6-8) 1.34 4.21 -39.73 1 5 0 68 206.201 2

Activity (Go SEA)

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