UCSF

ZINC49503540

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 17 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) 2.08 3.24 -4.72 1 4 0 37 300.2 4
Mid Mid (pH 6-8) 2.08 5.53 -40.57 2 4 1 39 301.208 4

Activity (Go SEA)

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