UCSF

ZINC28391644

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 33 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) 4.74 11.58 -10.29 0 5 0 40 445.559 6
Mid Mid (pH 6-8) 4.74 13.22 -43.79 1 5 1 41 446.567 6

Activity (Go SEA)

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