UCSF

ZINC12306268

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 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) 3.32 6.33 -15.92 1 6 0 70 362.385 6
Lo Low (pH 4.5-6) 3.32 6.98 -43.48 2 6 1 71 363.393 6

Activity (Go SEA)

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