UCSF

ZINC25457566

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 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) 3.40 10.29 -18.22 1 8 0 88 485.968 8
Mid Mid (pH 6-8) 3.40 12.19 -57.38 2 8 1 89 486.976 8

Activity (Go SEA)

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