UCSF

ZINC44916926

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 24 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) 0.88 5.66 -16.68 1 6 0 72 333.432 9
Lo Low (pH 4.5-6) 0.88 6.06 -37.52 2 6 1 73 334.44 9

Activity (Go SEA)

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