UCSF

ZINC35514779

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 34 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) 4.54 12.58 -15.97 0 7 0 82 456.498 5
Lo Low (pH 4.5-6) 4.54 12.99 -34.41 1 7 1 83 457.506 5

Activity (Go SEA)

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