UCSF

ZINC09302028

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 33 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) 6.13 12.72 -52.78 0 5 -1 73 498.342 4
Mid Mid (pH 6-8) 6.57 12.71 -20.98 1 5 0 71 499.35 3

Activity (Go SEA)

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