UCSF

ZINC34536767

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 1.46 10.44 -52.45 0 8 -1 102 422.461 6
Lo Low (pH 4.5-6) 1.46 11.26 -42.26 1 8 0 104 423.469 6

Activity (Go SEA)

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