UCSF

ZINC42582003

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 3.28 6.08 -37.22 3 3 1 46 241.399 6
Hi High (pH 8-9.5) 3.28 4.9 -6.64 2 3 0 41 240.391 6

Activity (Go SEA)

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