UCSF

ZINC33758137

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 30 No

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) 2.98 7.55 -62.79 0 7 -1 92 406.414 7
Lo Low (pH 4.5-6) 2.98 6.73 -15.68 1 7 0 89 407.422 7

Activity (Go SEA)

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