UCSF

ZINC37050148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.81 7.27 -90.06 4 3 2 41 264.413 5
Hi High (pH 8-9.5) 2.81 5.03 -43.37 3 3 1 40 263.405 5
Hi High (pH 8-9.5) 2.81 6.86 -34.91 3 3 1 40 263.405 5

Activity (Go SEA)

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