UCSF

ZINC51443504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 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) 2.18 2.93 -15.22 2 6 0 79 320.389 5
Hi High (pH 8-9.5) 2.18 3.75 -52.01 1 6 -1 82 319.381 5

Activity (Go SEA)

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