UCSF

ZINC37818289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -1.47 -1.49 -51.33 4 7 1 95 241.271 2
Hi High (pH 8-9.5) -1.47 -2.93 -13.29 3 7 0 91 240.263 2
Hi High (pH 8-9.5) -1.29 -4.13 -70.99 3 7 0 101 240.263 2
Hi High (pH 8-9.5) -1.29 -5.57 -44.97 2 7 -1 97 239.255 2

Activity (Go SEA)

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