UCSF

ZINC34691927

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 30 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) 2.81 11.1 -55.65 1 5 1 37 414.545 8
Lo Low (pH 4.5-6) 2.81 12.78 -109.88 2 5 2 38 415.553 8

Activity (Go SEA)

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