UCSF

ZINC34987263

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 4.48 11.36 -11.28 1 5 0 62 423.601 11
Lo Low (pH 4.5-6) 4.48 11.75 -45.91 2 5 1 64 424.609 11

Activity (Go SEA)

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