UCSF

ZINC40303693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 14 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) 1.64 2.81 -7.1 3 3 0 55 210.302 3
Lo Low (pH 4.5-6) 1.64 2.66 -33.94 4 3 1 57 211.31 3

Activity (Go SEA)

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