UCSF

ZINC37043382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.27 3.54 -72.76 3 5 0 86 226.207 4
Hi High (pH 8-9.5) 1.27 2.11 -54.83 2 5 -1 81 225.199 4

Activity (Go SEA)

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