UCSF

ZINC38590711

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.44 9 -43.48 2 6 1 59 398.458 6
Mid Mid (pH 6-8) 3.44 6.79 -11.41 1 6 0 58 397.45 6

Activity (Go SEA)

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