UCSF

ZINC41571521

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 2.44 6.13 -40.24 2 4 1 37 328.839 6
Hi High (pH 8-9.5) 2.44 3.85 -10.06 1 4 0 36 327.831 6
Mid Mid (pH 6-8) 2.44 6.13 -42.86 2 4 1 37 328.839 6

Activity (Go SEA)

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