UCSF

ZINC39849644

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 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) 3.28 10.23 -57.13 0 6 -1 86 454.289 6
Lo Low (pH 4.5-6) 3.28 9.35 -14.15 1 6 0 84 455.297 6

Activity (Go SEA)

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