UCSF

ZINC54979078

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 28 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) 4.35 10.58 -11.29 1 5 0 62 395.528 4
Lo Low (pH 4.5-6) 0.68 11.24 -31.86 2 5 1 61 396.536 5

Activity (Go SEA)

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