UCSF

ZINC12022861

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) 2.73 7.39 -58.31 2 7 1 88 448.54 6
Mid Mid (pH 6-8) 2.73 4.86 -19.72 1 7 0 87 447.532 6

Activity (Go SEA)

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