UCSF

ZINC37854478

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.74 0.7 -40.63 3 5 1 59 281.376 7
Mid Mid (pH 6-8) 0.74 1.25 -28.39 2 5 0 61 280.368 7
Mid Mid (pH 6-8) 0.74 3.02 -105.51 4 5 2 60 282.384 7

Activity (Go SEA)

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