UCSF

ZINC36873768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 0.79 6.03 -49.6 4 6 1 102 275.332 5
Hi High (pH 8-9.5) 0.79 5.72 -13.07 3 6 0 101 274.324 5
Lo Low (pH 4.5-6) 0.79 6.62 -126.43 5 6 2 103 276.34 5

Activity (Go SEA)

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