UCSF

ZINC40860589

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 20 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) 2.43 3.29 -53.24 3 5 1 66 304.48 4
Mid Mid (pH 6-8) 2.43 2.36 -7.29 2 5 0 61 303.472 4

Activity (Go SEA)

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