UCSF

ZINC15069891

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 32 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) 2.13 7.8 -47.02 2 7 1 68 437.564 6
Lo Low (pH 4.5-6) 2.13 10.15 -175.11 4 7 3 71 439.58 6
Lo Low (pH 4.5-6) 2.13 7.74 -47.95 2 7 1 68 437.564 6

Activity (Go SEA)

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