UCSF

ZINC20100619

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 32 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) 1.76 3.83 -70.98 1 8 -1 102 457.528 8
Mid Mid (pH 6-8) 1.76 6.17 -93.42 2 8 0 104 458.536 8

Activity (Go SEA)

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