UCSF

ZINC09360235

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 35 No

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) 3.20 9.29 -73.68 2 8 0 104 482.577 11
Mid Mid (pH 6-8) 3.64 8.1 -44.87 3 8 1 101 483.585 10

Activity (Go SEA)

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