UCSF

ZINC37319641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 4.50 11.6 -122.19 3 2 2 21 308.897 6
Mid Mid (pH 6-8) 4.50 10.66 -34.56 2 2 1 16 307.889 6

Activity (Go SEA)

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