UCSF

ZINC34687101

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 1.94 7.73 -15.55 0 7 0 60 446.519 10
Lo Low (pH 4.5-6) 1.94 10 -54.54 1 7 1 62 447.527 10

Activity (Go SEA)

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