UCSF

ZINC36683577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.03 4.72 -33.71 3 3 1 34 244.362 1
Hi High (pH 8-9.5) 1.03 2.56 -3.09 2 3 0 32 243.354 1
Mid Mid (pH 6-8) 1.03 4.99 -35.81 3 3 1 34 244.362 1
Mid Mid (pH 6-8) 1.03 7.16 -106.57 4 3 2 35 245.37 1

Activity (Go SEA)

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