UCSF

ZINC06621624

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 28 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) 2.35 7.22 -60.03 0 7 -1 96 378.36 6
Mid Mid (pH 6-8) 2.35 1.66 -13.77 1 7 0 93 379.368 6
Mid Mid (pH 6-8) 1.76 1.55 -21.81 0 7 0 89 379.368 6

Activity (Go SEA)

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