UCSF

ZINC34873136

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 29 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) 2.94 8.03 -11.08 3 5 0 81 382.467 5
Lo Low (pH 4.5-6) 2.94 8.49 -45.75 4 5 1 82 383.475 5

Activity (Go SEA)

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