UCSF

ZINC20024107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 20 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) 0.04 6.14 -50.01 3 6 1 71 299.42 7
Hi High (pH 8-9.5) 0.04 4.01 -8.55 2 6 0 70 298.412 7
Hi High (pH 8-9.5) 0.04 4.01 -8.6 2 6 0 70 298.412 7

Activity (Go SEA)

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