UCSF

ZINC06719022

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2006 21 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) 1.37 2.08 -22.24 1 6 0 68 328.415 3
Ref Reference (pH 7) 1.41 1.99 -20.12 1 6 0 70 328.415 3
Hi High (pH 8-9.5) 1.41 1.27 -50.4 0 6 -1 68 327.407 3

Activity (Go SEA)

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