UCSF

ZINC36881102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 No

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) 2.27 7.7 -44.65 2 4 1 54 289.399 5
Hi High (pH 8-9.5) 2.27 6.52 -10.62 1 4 0 49 288.391 5

Activity (Go SEA)

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