UCSF

ZINC01447797

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 19 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) 0.53 8.61 -22.93 2 3 1 43 268.365 2
Lo Low (pH 4.5-6) 0.53 9.16 -89.58 3 3 2 44 269.373 2

Activity (Go SEA)

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