UCSF

ZINC45696810

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) -0.61 2.42 -43.73 2 4 1 46 189.279 6
Hi High (pH 8-9.5) -0.61 1.21 -9.13 1 4 0 42 188.271 6

Activity (Go SEA)

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