UCSF

ZINC48789950

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 21 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) 4.11 7.98 -46.55 3 3 1 46 303.451 6
Mid Mid (pH 6-8) 4.11 6.63 -9.76 2 3 0 41 302.443 6

Activity (Go SEA)

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