UCSF

ZINC15785558

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 22 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) 2.80 6.11 -13.33 2 5 0 71 292.342 3
Lo Low (pH 4.5-6) 2.80 6.45 -36.97 3 5 1 72 293.35 3

Activity (Go SEA)

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