UCSF

ZINC37744737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 17 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) -0.33 1.09 -14.06 1 6 0 79 252.299 4
Lo Low (pH 4.5-6) -0.33 1.55 -41.2 2 6 1 80 253.307 4

Activity (Go SEA)

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