UCSF

ZINC43247548

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.76 6.35 -37.52 3 2 1 31 269.478 8
Hi High (pH 8-9.5) 3.76 6.06 -1.05 2 2 0 29 268.47 8
Mid Mid (pH 6-8) 3.76 7.49 -29.99 3 2 1 30 269.478 8
Mid Mid (pH 6-8) 3.76 7.78 -104.88 4 2 2 32 270.486 8

Activity (Go SEA)

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