UCSF

ZINC42468275

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) -0.11 2.73 -39.35 2 3 1 48 169.248 2
Mid Mid (pH 6-8) -0.11 0.72 -8.59 1 3 0 47 168.24 2

Activity (Go SEA)

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