UCSF

ZINC36192892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) -0.26 -0.59 -38.24 3 5 1 57 230.332 5
Hi High (pH 8-9.5) -0.26 -3.22 -9.09 2 5 0 56 229.324 5
Lo Low (pH 4.5-6) -0.26 1.59 -98.04 4 5 2 58 231.34 5

Activity (Go SEA)

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