UCSF

ZINC19258674

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) -0.26 2.49 -45.17 3 4 1 49 251.35 4
Hi High (pH 8-9.5) -0.26 2.25 -4.45 2 4 0 48 250.342 4
Lo Low (pH 4.5-6) -0.26 4.46 -130.78 4 4 2 51 252.358 4

Activity (Go SEA)

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