UCSF

ZINC52304134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 0.82 5.43 -52.66 3 3 1 45 220.271 4
Hi High (pH 8-9.5) 0.82 5.04 -8.49 2 3 0 44 219.263 4
Lo Low (pH 4.5-6) 0.82 5.65 -105.73 4 3 2 47 221.279 4

Activity (Go SEA)

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