UCSF

ZINC44515546

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 20 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) 3.02 8.43 -96.57 3 3 2 34 291.464 4
Mid Mid (pH 6-8) 3.02 7.22 -36.76 2 3 1 29 290.456 4

Activity (Go SEA)

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