UCSF

ZINC25311331

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 26 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) 3.22 8.6 -53.18 2 5 1 57 349.41 7
Hi High (pH 8-9.5) 3.22 7.18 -8.9 1 5 0 53 348.402 7

Activity (Go SEA)

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