UCSF

ZINC37792788

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.63 7.02 -49.8 1 6 -1 96 294.327 6
Lo Low (pH 4.5-6) 1.63 5.73 -11.83 2 6 0 93 295.335 6

Activity (Go SEA)

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