UCSF

ZINC27651428

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 25 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) 2.71 9.61 -68.56 3 5 1 80 333.367 3
Mid Mid (pH 6-8) 2.71 9.21 -12.67 2 5 0 78 332.359 3

Activity (Go SEA)

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