UCSF

ZINC01019513

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 25 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) 3.92 8.72 -9.9 1 4 0 50 369.877 2
Ref Reference (pH 7) 3.73 10.72 -8.82 1 4 0 47 369.877 2
Lo Low (pH 4.5-6) 3.91 10.85 -30.18 2 4 1 52 370.885 2

Activity (Go SEA)

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