UCSF

ZINC42187423

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 1.81 4.65 -35.24 2 3 1 43 172.248 4
Mid Mid (pH 6-8) 1.81 3.46 -4.54 1 3 0 38 171.24 4

Activity (Go SEA)

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