UCSF

ZINC37855899

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) 0.95 2.13 -41.44 4 3 1 60 197.233 4
Mid Mid (pH 6-8) 0.95 1.02 -7.65 3 3 0 55 196.225 4

Activity (Go SEA)

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