UCSF

ZINC44723529

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 0.05 -0.04 -33.09 3 4 1 55 192.279 9
Hi High (pH 8-9.5) 0.05 -1.32 -5.69 2 4 0 51 191.271 9

Activity (Go SEA)

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