UCSF

ZINC01153991

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 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) 3.16 4.28 -14.12 3 8 0 115 438.871 5
Lo Low (pH 4.5-6) 3.16 4.49 -59.29 4 8 1 117 439.879 5

Activity (Go SEA)

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