UCSF

ZINC01004517

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 21 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) 2.83 -3.16 -7.57 3 5 0 87 345.2 2
Lo Low (pH 4.5-6) 2.83 3.65 -55.12 4 5 1 89 346.208 2

Activity (Go SEA)

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