UCSF

ZINC43248401

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 1.25 1.04 -42.36 4 3 1 51 243.396 7
Hi High (pH 8-9.5) 1.25 0.69 -3.21 3 3 0 49 242.388 7
Hi High (pH 8-9.5) 1.25 2.2 -26.79 4 3 1 51 243.396 7

Activity (Go SEA)

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