UCSF

ZINC31494871

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 18 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) 4.01 6.91 -9.19 1 2 0 37 258.704 3
Hi High (pH 8-9.5) 4.01 7.68 -45.15 0 2 -1 40 257.696 3

Activity (Go SEA)

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