UCSF

ZINC20444605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 4.77 10.42 -9.12 0 3 0 31 319.795 3
Lo Low (pH 4.5-6) 4.77 10.82 -28.87 1 3 1 32 320.803 3

Activity (Go SEA)

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