UCSF

ZINC43993655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.04 8.85 -95.75 3 3 2 36 239.407 8
Hi High (pH 8-9.5) 3.04 8.38 -49.14 2 3 1 34 238.399 8

Activity (Go SEA)

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