UCSF

ZINC09423961

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 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) 5.60 12.2 -11.63 0 5 0 57 453.995 3
Lo Low (pH 4.5-6) 5.60 -0.48 -28.83 1 5 1 58 455.003 3

Activity (Go SEA)

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