UCSF

ZINC34973868

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 2.40 5.03 -7.36 1 3 0 45 238.237 5
Lo Low (pH 4.5-6) 2.40 5.94 -44.97 2 3 1 50 239.245 5

Activity (Go SEA)

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