UCSF

ZINC37988991

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 0.92 7.96 -50.44 2 4 1 47 217.296 4
Hi High (pH 8-9.5) 0.92 6.6 -10.67 1 4 0 43 216.288 4

Activity (Go SEA)

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