UCSF

ZINC34671798

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 37 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) 6.24 15.98 -12.75 1 4 0 42 490.647 8
Lo Low (pH 4.5-6) 6.24 17.78 -42.98 2 4 1 43 491.655 8

Activity (Go SEA)

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