UCSF

ZINC37848140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.65 4.4 -111.87 4 4 2 51 276.465 10
Mid Mid (pH 6-8) 1.65 2.96 -31.76 3 4 1 46 275.457 10

Activity (Go SEA)

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