UCSF

ZINC24819989

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 29 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) 4.15 7.84 -11.05 0 6 0 62 431.323 4
Mid Mid (pH 6-8) 4.15 10.06 -49.22 1 6 1 64 432.331 4

Activity (Go SEA)

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