UCSF

ZINC44885734

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 0.60 0.24 -41.4 2 8 -1 111 262.249 4
Hi High (pH 8-9.5) 0.60 1.31 -101.77 1 8 -2 114 261.241 4
Lo Low (pH 4.5-6) 0.60 0.49 -13.56 3 8 0 113 263.257 4

Activity (Go SEA)

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