UCSF

ZINC40436029

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 20 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) 2.35 5.36 -46.2 2 4 1 51 301.407 5
Hi High (pH 8-9.5) 2.35 3.12 -7.87 1 4 0 49 300.399 5

Activity (Go SEA)

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