UCSF

ZINC36876866

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.07 5.81 -44.04 4 3 1 56 244.362 4
Hi High (pH 8-9.5) 1.07 5.61 -6.58 3 3 0 55 243.354 4
Hi High (pH 8-9.5) 1.07 6.17 -27.88 4 3 1 56 244.362 4
Mid Mid (pH 6-8) 1.07 6.43 -115.51 5 3 2 58 245.37 4

Activity (Go SEA)

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