UCSF

ZINC45498049

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2010 26 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) 5.16 10.44 -17.09 1 7 0 104 382.426 3
Hi High (pH 8-9.5) 5.62 8.14 -47.29 0 7 -1 107 381.418 3

Activity (Go SEA)

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