UCSF

ZINC03177611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 24 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) 2.36 12.63 -21.62 1 3 1 29 336.484 4
Lo Low (pH 4.5-6) 3.29 13.08 -89.35 2 3 2 34 337.492 3
Lo Low (pH 4.5-6) 2.36 13.08 -89.36 2 3 2 30 337.492 4

Activity (Go SEA)

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