UCSF

ZINC37848134

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) 2.48 6.2 -109.86 4 4 2 51 304.519 12
Mid Mid (pH 6-8) 2.48 4.73 -31.33 3 4 1 46 303.511 12

Activity (Go SEA)

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