UCSF

ZINC37213918

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 4.97 -37.85 2 3 1 23 294.385 6
Hi High (pH 8-9.5) 2.24 3.79 -2.58 1 3 0 19 293.377 6
Mid Mid (pH 6-8) 2.24 5.59 -32.49 2 3 1 20 294.385 6
Mid Mid (pH 6-8) 2.24 6.77 -116.64 3 3 2 24 295.393 6

Activity (Go SEA)

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