UCSF

ZINC27270655

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 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) 1.93 3.91 -18.88 2 6 0 74 328.347 4
Lo Low (pH 4.5-6) 1.93 4.17 -54.87 3 6 1 76 329.355 4

Activity (Go SEA)

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