UCSF

ZINC70410646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2011 20 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) 3.17 9.91 -50.66 1 5 1 67 277.344 4
Mid Mid (pH 6-8) 3.17 7.94 -14.42 0 5 0 66 276.336 4

Activity (Go SEA)

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