UCSF

ZINC34754851

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 15 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) 0.45 3.41 -84.26 4 3 2 35 213.369 4
Hi High (pH 8-9.5) 0.45 2.27 -41.82 3 3 1 34 212.361 4
Lo Low (pH 4.5-6) 0.45 5.62 -184.67 5 3 3 37 214.377 4

Activity (Go SEA)

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