UCSF

ZINC43971451

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) 3.29 9.6 -123.58 3 3 2 30 292.467 6
Hi High (pH 8-9.5) 3.29 6.06 -2.8 1 3 0 24 290.451 6
Mid Mid (pH 6-8) 3.29 7.74 -37.7 2 3 1 29 291.459 6
Mid Mid (pH 6-8) 3.29 8.49 -32.84 2 3 1 26 291.459 6

Activity (Go SEA)

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