UCSF

ZINC00557457

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 4.10 8.36 -61.83 2 5 0 52 343.447 7
Mid Mid (pH 6-8) 4.10 8.3 -11.13 1 5 0 51 342.439 7

Activity (Go SEA)

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