UCSF

ZINC34691954

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 31 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) 3.74 9.75 -8.34 0 5 0 42 426.532 7
Lo Low (pH 4.5-6) 3.74 12.03 -49.69 1 5 1 43 427.54 7

Activity (Go SEA)

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