UCSF

ZINC35282237

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 1.29 6.81 -56.49 0 4 -1 60 214.285 5
Lo Low (pH 4.5-6) 1.29 4.74 -13.2 1 4 0 58 215.293 5

Activity (Go SEA)

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