UCSF

ZINC54990889

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 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) 1.03 3.88 -43.14 3 6 1 76 334.318 7
Hi High (pH 8-9.5) 1.03 2.05 -15.97 2 6 0 75 333.31 7
Hi High (pH 8-9.5) 1.21 -0.52 -47.93 1 6 -1 81 332.302 7

Activity (Go SEA)

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