UCSF

ZINC35123327

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 17 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) 0.64 4.22 -46.11 1 5 -1 78 240.279 5
Lo Low (pH 4.5-6) 0.64 2.49 -7.82 2 5 0 76 241.287 5

Activity (Go SEA)

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