UCSF

ZINC34675954

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 3.89 12.94 -20.97 1 6 0 72 465.553 10
Lo Low (pH 4.5-6) 3.89 13.41 -52.93 2 6 1 73 466.561 10

Activity (Go SEA)

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