UCSF

ZINC37839919

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.50 0.35 -21.15 2 7 0 99 301.368 6
Hi High (pH 8-9.5) 0.96 -1.55 -51.22 1 7 -1 102 300.36 6

Activity (Go SEA)

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