UCSF

ZINC49054074

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 29 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) 7.54 15.68 -127.58 4 2 2 33 406.743 15
Hi High (pH 8-9.5) 7.54 14.33 -37.29 3 2 1 29 405.735 15

Activity (Go SEA)

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