UCSF

ZINC06427852

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 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) 3.53 9.7 -61.03 0 5 -1 70 378.448 7
Mid Mid (pH 6-8) 3.98 1.13 -18.66 1 5 0 66 379.456 6
Mid Mid (pH 6-8) 2.95 0.6 -10.83 0 5 0 63 379.456 7

Activity (Go SEA)

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