UCSF

ZINC05065778

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 29 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) 1.80 14.52 -27.07 0 7 0 80 389.39 3
Hi High (pH 8-9.5) 1.81 14.73 -58.71 0 7 -1 82 388.382 3
Mid Mid (pH 6-8) 1.81 15.21 -31.98 2 7 1 85 390.398 3

Activity (Go SEA)

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