UCSF

ZINC42443332

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.22 6.72 -113.21 4 4 2 50 226.368 8
Mid Mid (pH 6-8) 0.22 7.24 -168.32 5 4 3 51 227.376 8
Mid Mid (pH 6-8) 0.22 5.4 -81.69 4 4 2 50 226.368 8
Mid Mid (pH 6-8) 0.22 4.88 -48 3 4 1 49 225.36 8

Activity (Go SEA)

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