UCSF

ZINC24070678

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 26 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) 3.68 8.08 -17.7 1 6 0 77 388.518 4
Mid Mid (pH 6-8) 3.68 8.15 -53.66 0 6 -1 79 387.51 4

Activity (Go SEA)

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