UCSF

ZINC45163806

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 20 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) 1.11 4.46 -21.42 2 5 0 75 309.416 4
Hi High (pH 8-9.5) 1.57 2 -59.63 1 5 -1 78 308.408 4

Activity (Go SEA)

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