UCSF

ZINC27023696

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 29 No

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) 4.52 9.82 -46.64 0 6 -1 86 445.307 4
Lo Low (pH 4.5-6) 4.52 8.99 -13.25 1 6 0 83 446.315 4

Activity (Go SEA)

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