UCSF

ZINC47775767

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2010 20 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) 1.97 6.79 -32.15 1 4 1 32 284.42 6
Mid Mid (pH 6-8) 1.97 4.82 -3.79 0 4 0 31 283.412 6

Activity (Go SEA)

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