UCSF

ZINC24927466

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 30 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) 2.99 7.22 -17.64 1 6 0 64 403.482 7
Lo Low (pH 4.5-6) 2.99 9.57 -55 2 6 1 65 404.49 7

Activity (Go SEA)

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