UCSF

ZINC53129507

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 3.08 4.48 -6.68 2 5 0 78 321.167 3
Lo Low (pH 4.5-6) 3.08 4.93 -35.77 3 5 1 79 322.175 3

Activity (Go SEA)

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