UCSF

ZINC38039764

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 2.06 3.72 -11.11 1 7 0 101 353.194 7
Hi High (pH 8-9.5) 2.06 3.46 -47.18 0 7 -1 103 352.186 7

Activity (Go SEA)

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