UCSF

ZINC25147115

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 31 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) 2.46 7.09 -20.43 2 7 0 103 455.561 7
Hi High (pH 8-9.5) 3.36 6.03 -50.35 1 7 -1 106 454.553 7

Activity (Go SEA)

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