UCSF

ZINC37076421

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 No

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) 1.83 3.85 -40.14 4 5 1 83 308.379 7
Mid Mid (pH 6-8) 1.83 2.65 -8.54 3 5 0 79 307.371 7

Activity (Go SEA)

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