UCSF

ZINC21476318

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2008 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) 1.00 5.6 -11.22 0 6 0 51 328.416 5
Lo Low (pH 4.5-6) 1.00 7.81 -49.28 1 6 1 52 329.424 5

Activity (Go SEA)

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