UCSF

ZINC49754051

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 25 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) 0.18 3.6 -68.36 4 7 1 117 365.479 7
Mid Mid (pH 6-8) 0.18 1.34 -21.95 3 7 0 116 364.471 7

Activity (Go SEA)

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