UCSF

ZINC36874658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.81 4.72 -43.57 3 3 1 40 263.405 3
Hi High (pH 8-9.5) 0.81 4.05 -3.31 2 3 0 38 262.397 3
Lo Low (pH 4.5-6) 0.81 6.45 -118.77 4 3 2 41 264.413 3

Activity (Go SEA)

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