UCSF

ZINC37150766

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.28 7.17 -48.61 3 2 1 37 294.777 4
Hi High (pH 8-9.5) 4.28 6.31 -5.59 2 2 0 32 293.769 4

Activity (Go SEA)

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