UCSF

ZINC06553839

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 3.93 11.56 -53.86 0 5 -1 74 406.845 5
Mid Mid (pH 6-8) 3.35 10.85 -10.15 0 5 0 68 407.853 5
Mid Mid (pH 6-8) 3.93 10.48 -11.15 1 5 0 71 407.853 5

Activity (Go SEA)

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