UCSF

ZINC61913481

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2011 17 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) 1.48 3.35 -43.96 3 3 1 40 255.407 3
Hi High (pH 8-9.5) 1.48 2.54 -3.17 2 3 0 38 254.399 3

Activity (Go SEA)

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