UCSF

ZINC43992630

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.40 11.01 -45.66 2 3 1 34 280.395 6
Hi High (pH 8-9.5) 3.40 10.01 -7.31 1 3 0 30 279.387 6
Mid Mid (pH 6-8) 3.40 11.52 -114.55 3 3 2 36 281.403 6

Activity (Go SEA)

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