UCSF

ZINC45783659

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 16 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) 2.01 9.63 -44.87 1 2 1 28 215.32 5
Mid Mid (pH 6-8) 2.01 7.3 -6.52 0 2 0 27 214.312 5

Activity (Go SEA)

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