UCSF

ZINC37213917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.24 4.94 -37.79 2 3 1 23 294.385 6
Hi High (pH 8-9.5) 2.24 3.4 -2.55 1 3 0 19 293.377 6
Mid Mid (pH 6-8) 2.24 5.64 -30.6 2 3 1 20 294.385 6
Mid Mid (pH 6-8) 2.24 6.74 -117.12 3 3 2 24 295.393 6

Activity (Go SEA)

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