UCSF

ZINC60024725

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 23 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) 3.94 11.24 -111.38 2 5 -1 97 326.457 10
Lo Low (pH 4.5-6) 3.94 9.06 -63.61 3 5 0 94 327.465 10

Activity (Go SEA)

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