UCSF

ZINC43972510

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) 4.06 10.83 -108.26 3 2 2 21 288.479 7
Hi High (pH 8-9.5) 4.05 8.23 -2.19 1 2 0 15 286.463 7
Mid Mid (pH 6-8) 4.06 9.59 -31.52 2 2 1 16 287.471 7
Mid Mid (pH 6-8) 4.06 8.39 -36.32 2 2 1 20 287.471 7

Activity (Go SEA)

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