UCSF

ZINC08419294

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 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) 4.91 7.99 -11.28 1 4 0 58 383.782 3
Lo Low (pH 4.5-6) 4.42 8.41 -46 2 4 1 56 384.79 4

Activity (Go SEA)

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