UCSF

ZINC33937549

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 38 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) 5.90 14.84 -19.99 0 6 0 60 520.658 5
Lo Low (pH 4.5-6) 5.90 15.81 -39.64 1 6 1 62 521.666 5

Activity (Go SEA)

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