UCSF

ZINC37856528

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.46 0.49 -43.2 4 3 1 57 214.26 5
Hi High (pH 8-9.5) 0.46 -0.92 -5.74 3 3 0 52 213.252 5

Activity (Go SEA)

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