UCSF

ZINC12149678

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2008 33 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) 3.91 1.82 -13.52 0 5 0 52 438.527 8
Lo Low (pH 4.5-6) 3.91 1.93 -54.4 1 5 1 53 439.535 8

Activity (Go SEA)

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