UCSF

ZINC44675593

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 21 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) 3.65 10.25 -4.46 1 1 0 12 315.869 3
Lo Low (pH 4.5-6) 3.65 11.42 -43.28 2 1 1 17 316.877 3

Activity (Go SEA)

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