UCSF

ZINC35615927

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 27 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) 4.64 9.92 -11.7 1 6 0 61 425.286 5
Lo Low (pH 4.5-6) 4.64 10.26 -36.76 2 6 1 62 426.294 5

Activity (Go SEA)

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