UCSF

ZINC36162392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) 1.18 5.68 -36.55 4 5 1 74 232.263 1
Hi High (pH 8-9.5) 1.18 5.18 -9.9 3 5 0 73 231.255 1

Activity (Go SEA)

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