UCSF

ZINC04848680

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 29 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) 5.22 9.23 -50.5 0 5 -1 69 406.531 7
Mid Mid (pH 6-8) 4.76 10.08 -16.56 1 5 0 66 407.539 7

Activity (Go SEA)

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