UCSF

ZINC43253547

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 1.53 4.36 -48.19 3 4 1 51 304.867 7
Hi High (pH 8-9.5) 1.53 4.04 -6.17 2 4 0 50 303.859 7
Lo Low (pH 4.5-6) 1.53 6.29 -124.57 4 4 2 52 305.875 7

Activity (Go SEA)

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