UCSF

ZINC22816675

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) -0.76 -0.4 -41.9 3 4 1 51 172.252 3
Mid Mid (pH 6-8) -0.76 -0.48 -40.56 3 4 1 51 172.252 3
Mid Mid (pH 6-8) -0.76 -2.87 -9.7 2 4 0 50 171.244 3

Activity (Go SEA)

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