UCSF

ZINC42459624

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.64 4.26 -9.61 1 4 0 46 246.31 5
Mid Mid (pH 6-8) 1.64 4.76 -22.13 2 4 1 47 247.318 5

Activity (Go SEA)

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