UCSF

ZINC36616711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 2.25 11.79 -16.13 1 8 0 91 427.39 5
Hi High (pH 8-9.5) 2.32 10.54 -47.9 0 8 -1 97 426.382 5

Activity (Go SEA)

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