UCSF

ZINC42559483

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 2.43 6.92 -39.8 2 4 0 66 222.288 5
Mid Mid (pH 6-8) 2.43 6.46 -47.17 1 4 -1 65 221.28 5

Activity (Go SEA)

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