UCSF

ZINC00756964

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 29 Yes

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) 4.99 -2.48 -9 3 4 0 68 403.482 4
Lo Low (pH 4.5-6) 4.99 -2.36 -33.26 4 4 1 69 404.49 4

Activity (Go SEA)

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