UCSF

ZINC67919632

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 28 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) 5.05 8.99 -46.13 3 4 1 54 396.894 3
Mid Mid (pH 6-8) 5.05 6.81 -9.88 2 4 0 53 395.886 3

Activity (Go SEA)

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