UCSF

ZINC25409041

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 31 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) 1.47 2.04 -23.55 2 9 0 110 446.529 7
Mid Mid (pH 6-8) 1.47 2.33 -55.05 3 9 1 111 447.537 7

Activity (Go SEA)

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