UCSF

ZINC70115535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 19 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) 2.85 7.09 -10.6 3 3 0 51 277.437 3
Mid Mid (pH 6-8) 2.85 7.42 -37.39 4 3 1 52 278.445 3

Activity (Go SEA)

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