UCSF

ZINC09301978

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 38 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) 4.57 12.89 -74.66 1 8 0 93 524.658 14
Mid Mid (pH 6-8) 3.99 2.22 -49.6 1 8 1 86 525.666 14

Activity (Go SEA)

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