UCSF

ZINC20127212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 2.02 4.81 -47.52 3 4 1 57 263.361 5
Hi High (pH 8-9.5) 2.02 5.6 -56.8 2 4 0 60 262.353 5
Hi High (pH 8-9.5) 2.02 3.53 -12.62 2 4 0 53 262.353 5

Activity (Go SEA)

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