UCSF

ZINC36170868

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) -0.93 -0.96 -85.91 5 4 2 56 203.33 4
Hi High (pH 8-9.5) -0.93 -3.2 -43.26 4 4 1 54 202.322 4
Hi High (pH 8-9.5) -0.93 -3.56 -3.3 3 4 0 53 201.314 4

Activity (Go SEA)

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