UCSF

ZINC29502681

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 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) 2.13 5.6 -42.71 2 7 1 82 319.385 6
Hi High (pH 8-9.5) 2.13 3.09 -15.5 1 7 0 80 318.377 6

Activity (Go SEA)

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