UCSF

ZINC43248504

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) 1.66 5.98 -94.61 4 3 2 35 281.469 4
Hi High (pH 8-9.5) 1.66 3.06 -2.26 2 3 0 32 279.453 4
Mid Mid (pH 6-8) 1.66 3.74 -36.98 3 3 1 34 280.461 4

Activity (Go SEA)

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