UCSF

ZINC36677442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 13 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) 0.18 2.29 -89.28 4 3 2 35 187.331 4
Hi High (pH 8-9.5) 0.18 -0.07 -41.28 3 3 1 34 186.323 4
Mid Mid (pH 6-8) 0.18 1.75 -107.74 4 3 2 35 187.331 4

Activity (Go SEA)

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