UCSF

ZINC34685686

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 3.22 10.66 -20.81 0 7 0 62 479.621 8
Mid Mid (pH 6-8) 3.22 12.96 -56.47 1 7 1 64 480.629 8

Activity (Go SEA)

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