UCSF

ZINC09057876

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 31 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) 1.37 -10.73 -18.02 2 9 0 121 465.553 7
Hi High (pH 8-9.5) 1.37 -10.31 -54.7 1 9 -1 123 464.545 7

Activity (Go SEA)

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