UCSF

ZINC34682284

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 3.70 10.29 -47.53 3 7 1 79 495.566 10
Lo Low (pH 4.5-6) 3.70 10.65 -104.31 4 7 2 80 496.574 10

Activity (Go SEA)

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