UCSF

ZINC19435779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 1.21 6.77 -50.68 0 6 -1 87 294.327 4
Lo Low (pH 4.5-6) 1.21 5.65 -13.18 1 6 0 84 295.335 4

Activity (Go SEA)

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