UCSF

ZINC14948309

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 23 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) 2.77 5.27 -49.56 5 5 1 89 307.377 4
Lo Low (pH 4.5-6) 2.77 5.51 -100.3 6 5 2 90 308.385 4
Lo Low (pH 4.5-6) 2.77 2.17 -109.22 6 5 2 90 308.385 4

Activity (Go SEA)

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