UCSF

ZINC21004189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 29 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) 4.36 9.59 -10.19 1 4 0 44 406.913 4
Hi High (pH 8-9.5) 4.36 10.37 -41.13 0 4 -1 47 405.905 4
Lo Low (pH 4.5-6) 4.36 11.17 -46.1 2 4 1 45 407.921 4

Activity (Go SEA)

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