UCSF

ZINC66057126

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 17 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) 2.60 8.76 -97.42 3 2 2 21 254.443 5
Mid Mid (pH 6-8) 2.60 6.5 -38.87 2 2 1 20 253.435 5

Activity (Go SEA)

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