UCSF

ZINC14643594

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 23 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) 1.02 -2.04 -12.69 4 7 0 116 318.281 2
Hi High (pH 8-9.5) 1.02 -1.42 -53.16 3 7 -1 119 317.273 2
Hi High (pH 8-9.5) 1.02 -1.04 -58.43 3 7 -1 119 317.273 2
Hi High (pH 8-9.5) 1.02 -1.05 -51.55 3 7 -1 119 317.273 2
Hi High (pH 8-9.5) 1.02 -0.76 -51.01 3 7 -1 119 317.273 2

Activity (Go SEA)

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