UCSF

ZINC35282121

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 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) 0.86 8.95 -63.63 0 5 -1 84 273.312 6
Lo Low (pH 4.5-6) 0.86 6.98 -19.17 1 5 0 81 274.32 6

Activity (Go SEA)

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