UCSF

ZINC25252728

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 27 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) 4.18 10.4 -47.8 2 4 1 46 380.537 4
Mid Mid (pH 6-8) 4.18 10.78 -89.7 3 4 2 48 381.545 4

Activity (Go SEA)

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