UCSF

ZINC37243344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 3.86 9.79 -54.95 2 2 1 40 271.771 4
Hi High (pH 8-9.5) 3.86 8.67 -6.3 1 2 0 36 270.763 4

Activity (Go SEA)

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