UCSF

ZINC06420387

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 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) 3.07 8.58 -45.04 0 6 -1 83 388.399 6
Mid Mid (pH 6-8) 3.07 8.44 -15.4 1 6 0 80 389.407 6
Mid Mid (pH 6-8) 2.48 9.13 -24.86 0 6 0 77 389.407 6

Activity (Go SEA)

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