UCSF

ZINC06795917

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 30 Yes

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) 4.77 13.51 -41.13 2 5 0 75 406.457 8
Mid Mid (pH 6-8) 4.77 12.16 -51.49 1 5 -1 70 405.449 8

Activity (Go SEA)

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