UCSF

ZINC08685034

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 18 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) 3.19 8.96 -9.67 2 3 0 36 261.394 4
Hi High (pH 8-9.5) 3.86 8.56 -45.36 1 3 -1 37 260.386 3

Activity (Go SEA)

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