UCSF

ZINC36228459

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 No

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) 2.51 8.21 -48.43 2 5 1 72 267.349 9
Hi High (pH 8-9.5) 2.51 6.9 -6.2 1 5 0 67 266.341 9

Activity (Go SEA)

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