UCSF

ZINC05781629

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 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) 1.53 6.36 -15.82 1 9 0 117 386.376 10
Hi High (pH 8-9.5) 1.99 4.47 -56.07 0 9 -1 120 385.368 10

Activity (Go SEA)

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