UCSF

ZINC24242972

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 26 No

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) 2.21 10.3 -61.9 2 8 1 95 376.462 4
Mid Mid (pH 6-8) 2.21 7.93 -20.54 1 8 0 94 375.454 4

Activity (Go SEA)

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