UCSF

ZINC36191520

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) -0.47 2.77 -92.67 4 5 2 53 253.394 4
Hi High (pH 8-9.5) -0.47 2.6 -37.48 3 5 1 52 252.386 4

Activity (Go SEA)

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