UCSF

ZINC37853591

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.01 -0.12 -5.94 2 3 0 41 171.24 6
Mid Mid (pH 6-8) -0.01 1.3 -41.13 3 3 1 46 172.248 6

Activity (Go SEA)

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