UCSF

ZINC12025350

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) 2.92 7.41 -59.77 2 7 1 88 468.958 6
Mid Mid (pH 6-8) 2.92 4.88 -21.13 1 7 0 87 467.95 6

Activity (Go SEA)

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