UCSF

ZINC19928802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 36 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) 3.39 7.92 -59.97 0 8 -1 91 491.564 10
Mid Mid (pH 6-8) 3.39 10.25 -76.87 1 8 0 93 492.572 10

Activity (Go SEA)

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