UCSF

ZINC42781912

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 1.24 5.32 -91.12 4 3 2 35 217.401 8
Hi High (pH 8-9.5) 1.24 2.86 -36.13 3 3 1 34 216.393 8
Lo Low (pH 4.5-6) 1.24 6.73 -222.67 5 3 3 37 218.409 8

Activity (Go SEA)

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