UCSF

ZINC09123685

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 37 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) 5.67 13.87 -55.06 0 7 -1 100 521.59 8
Mid Mid (pH 6-8) 6.11 13.8 -22.49 1 7 0 97 522.598 7

Activity (Go SEA)

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