UCSF

ZINC41287810

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 19 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) 1.46 5.69 -18.14 1 5 0 56 261.325 7
Mid Mid (pH 6-8) 1.46 5.99 -32.18 2 5 1 57 262.333 7

Activity (Go SEA)

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