UCSF

ZINC37839472

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.56 3.26 -24.24 2 5 0 80 226.276 4
Hi High (pH 8-9.5) 0.18 2.11 -56.81 2 5 -1 86 225.268 3

Activity (Go SEA)

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