UCSF

ZINC49633545

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 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) -0.19 2.45 -35.62 2 4 1 45 189.279 6
Hi High (pH 8-9.5) -0.19 0.18 -10.61 1 4 0 44 188.271 6

Activity (Go SEA)

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