UCSF

ZINC65421532

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2011 19 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) 1.43 3.89 -36.95 3 3 1 40 277.413 2
Hi High (pH 8-9.5) 1.43 2.65 -7.08 2 3 0 35 276.405 2

Activity (Go SEA)

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