UCSF

ZINC25397518

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 23 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) 2.58 8.28 -8.24 0 3 0 24 344.505 3
Mid Mid (pH 6-8) 2.58 10.61 -46.74 1 3 1 25 345.513 3

Activity (Go SEA)

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