UCSF

ZINC34680605

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 3.87 10.93 -18.48 1 7 0 75 450.926 5
Mid Mid (pH 6-8) 3.87 11.28 -47.02 2 7 1 76 451.934 5

Activity (Go SEA)

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