UCSF

ZINC44694633

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 0.13 1.86 -45.19 2 4 1 51 245.368 3
Hi High (pH 8-9.5) 0.13 -0.48 -10.87 1 4 0 49 244.36 3
Lo Low (pH 4.5-6) 0.13 3.03 -133.37 3 4 2 55 246.376 3

Activity (Go SEA)

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