UCSF

ZINC65330693

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 30 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) 3.11 9.25 -11.77 0 6 0 53 421.57 4
Mid Mid (pH 6-8) 3.11 11.46 -50.07 1 6 1 54 422.578 4

Activity (Go SEA)

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