UCSF

ZINC35102052

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 13 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) 0.53 2.06 -38.45 3 4 1 63 190.263 8
Hi High (pH 8-9.5) 0.53 0.68 -6.48 2 4 0 59 189.255 8

Activity (Go SEA)

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