UCSF

ZINC13406325

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 17 No

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) 3.47 4.7 -7.48 1 3 0 42 227.263 3
Hi High (pH 8-9.5) 3.47 5.48 -48.51 0 3 -1 45 226.255 3
Hi High (pH 8-9.5) 3.47 4.26 -40.88 0 3 -1 45 226.255 3
Lo Low (pH 4.5-6) 3.47 3.93 -33.89 2 3 1 43 228.271 3
Lo Low (pH 4.5-6) 3.47 5.38 -31.4 2 3 1 43 228.271 3

Activity (Go SEA)

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