UCSF

ZINC30137971

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2009 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) 0.77 2.67 -58.23 2 6 1 71 292.425 6
Hi High (pH 8-9.5) 0.77 0.35 -18.87 1 6 0 70 291.417 6

Activity (Go SEA)

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