UCSF

ZINC36950753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.59 2.28 -40.55 4 6 1 86 298.407 6
Hi High (pH 8-9.5) 0.59 0.86 -7.34 3 6 0 82 297.399 6

Activity (Go SEA)

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