UCSF

ZINC29407738

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 26 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) 2.74 2.76 -21.97 4 6 0 99 348.358 4
Hi High (pH 8-9.5) 2.74 3.56 -53.26 3 6 -1 101 347.35 4

Activity (Go SEA)

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