UCSF

ZINC52831502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) 0.57 3.68 -50.31 2 4 1 46 191.258 1
Hi High (pH 8-9.5) 0.57 2.25 -7.91 1 4 0 41 190.25 1

Activity (Go SEA)

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