UCSF

ZINC21548818

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 30 No

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) 2.97 7.87 -14.49 0 6 0 57 405.45 2
Lo Low (pH 4.5-6) 2.97 10.28 -52.64 1 6 1 58 406.458 2

Activity (Go SEA)

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