UCSF

ZINC42410591

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 1.14 4.38 -52.65 2 5 1 66 266.346 4
Hi High (pH 8-9.5) 1.14 3.09 -11.65 1 5 0 62 265.338 4

Activity (Go SEA)

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