UCSF

ZINC37848819

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) 1.18 3.61 -51.25 3 6 1 76 301.407 9
Hi High (pH 8-9.5) 1.18 2.44 -9.59 2 6 0 71 300.399 9

Activity (Go SEA)

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