UCSF

ZINC31071112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 28 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 8.39 -25.17 1 8 0 118 410.423 9
Mid Mid (pH 6-8) 3.20 8.05 -54.69 0 8 -1 120 409.415 9

Activity (Go SEA)

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