UCSF

ZINC27202367

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 31 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) 0.76 0.58 -19.07 3 9 0 131 424.409 4
Hi High (pH 8-9.5) 0.76 1.38 -46.75 2 9 -1 134 423.401 4

Activity (Go SEA)

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