UCSF

ZINC09246913

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 30 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) 5.42 -1.89 -11.4 3 5 0 85 435.936 4
Lo Low (pH 4.5-6) 5.42 -1.85 -36.05 4 5 1 86 436.944 4

Activity (Go SEA)

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