UCSF

ZINC13715069

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 23 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) 2.24 8.2 -52.85 2 5 1 54 318.441 4
Mid Mid (pH 6-8) 2.24 5.85 -15.67 1 5 0 53 317.433 4

Activity (Go SEA)

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