UCSF

ZINC28955201

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 29 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) 2.34 2.92 -17.21 2 6 0 71 395.455 3
Mid Mid (pH 6-8) 2.34 5.34 -50.88 3 6 1 73 396.463 3

Activity (Go SEA)

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