UCSF

ZINC19505841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 1.41 4.46 -94.56 5 3 2 56 173.304 7
Mid Mid (pH 6-8) -1.76 4.4 -32.91 5 3 1 56 172.296 7

Activity (Go SEA)

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