UCSF

ZINC36533366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) -0.46 3.28 -48.88 3 3 1 45 176.243 1
Hi High (pH 8-9.5) -0.46 2.97 -9.24 2 3 0 44 175.235 1

Activity (Go SEA)

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