UCSF

ZINC62957049

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 1.62 8.29 -37.34 3 2 1 30 261.433 5
Lo Low (pH 4.5-6) 1.62 8.64 -121.95 4 2 2 32 262.441 5

Activity (Go SEA)

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