UCSF

ZINC37840682

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.98 1.55 -49.56 2 8 1 91 316.407 4
Hi High (pH 8-9.5) -0.98 -0.82 -16.53 1 8 0 90 315.399 4

Activity (Go SEA)

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