UCSF

ZINC37825004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.66 6.32 -111.99 4 5 2 65 294.443 9
Mid Mid (pH 6-8) 0.66 6.01 -50.27 3 5 1 64 293.435 9

Activity (Go SEA)

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