UCSF

ZINC00661437

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 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) 4.22 -4.5 -16.46 3 8 0 104 433.445 3
Lo Low (pH 4.5-6) 4.22 -4.39 -43.68 4 8 1 106 434.453 3

Activity (Go SEA)

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