UCSF

ZINC37878149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 1.16 3.96 -101.06 4 3 2 41 216.369 5
Hi High (pH 8-9.5) 1.16 1.49 -38.33 3 3 1 40 215.361 5
Mid Mid (pH 6-8) 1.16 4.5 -40.55 3 3 1 44 215.361 5

Activity (Go SEA)

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