UCSF

ZINC08820941

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 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) 7.63 13.93 -13.45 1 4 0 58 430.916 3
Mid Mid (pH 6-8) 7.14 13.94 -53.25 0 4 -1 57 429.908 4

Activity (Go SEA)

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