UCSF

ZINC58282838

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 22 Yes

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) 1.55 0.16 -61.97 2 6 -1 108 343.381 5
Mid Mid (pH 6-8) 1.55 0.13 -19.79 3 6 0 106 344.389 5

Activity (Go SEA)

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