UCSF

ZINC27430225

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 38 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) 3.13 8.73 -48.01 7 8 1 131 520.698 13
Hi High (pH 8-9.5) 3.13 8.4 -17.8 6 8 0 129 519.69 13

Activity (Go SEA)

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