UCSF

ZINC34691977

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 28 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) 3.46 8.8 -10.82 0 5 0 46 386.467 6
Lo Low (pH 4.5-6) 3.46 11.06 -55.88 1 5 1 47 387.475 6

Activity (Go SEA)

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