UCSF

ZINC34691938

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 29 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) 3.05 9.46 -10.52 0 5 0 42 394.515 8
Lo Low (pH 4.5-6) 3.05 11.75 -37.13 1 5 1 43 395.523 8

Activity (Go SEA)

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