UCSF

ZINC44110342

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 4.55 10.14 -37.07 2 2 1 26 282.407 5
Hi High (pH 8-9.5) 4.55 9.04 -3.31 1 2 0 21 281.399 5

Activity (Go SEA)

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