UCSF

ZINC12023034

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 31 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) 3.01 8.01 -52.75 2 7 1 88 444.577 6
Mid Mid (pH 6-8) 3.01 5.41 -18.67 1 7 0 87 443.569 6

Activity (Go SEA)

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