UCSF

ZINC21324255

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 30 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) 2.33 6.7 -18.73 1 8 0 94 431.514 10
Mid Mid (pH 6-8) 2.33 9.07 -66.61 2 8 1 95 432.522 10
Mid Mid (pH 6-8) 2.79 8.03 -46.27 1 8 0 98 431.514 10

Activity (Go SEA)

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