UCSF

ZINC39849347

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 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) 2.58 11.18 -76.07 1 6 0 78 394.471 8
Lo Low (pH 4.5-6) 2.58 10.26 -46.17 2 6 1 75 395.479 8

Activity (Go SEA)

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