UCSF

ZINC65405929

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2011 25 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) 2.69 9.67 -11.91 1 5 0 50 332.407 3
Lo Low (pH 4.5-6) 2.69 10.43 -22.03 2 5 0 51 333.415 3

Activity (Go SEA)

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