UCSF

ZINC43252156

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 2.53 6 -95.74 4 3 2 35 303.903 4
Hi High (pH 8-9.5) 2.53 5.88 -113.95 4 3 2 35 303.903 4
Hi High (pH 8-9.5) 2.53 3.51 -1.71 2 3 0 32 301.887 4
Hi High (pH 8-9.5) 2.53 5.66 -34.08 3 3 1 34 302.895 4
Mid Mid (pH 6-8) 2.53 3.82 -44.21 3 3 1 34 302.895 4

Activity (Go SEA)

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