UCSF

ZINC42767175

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.18 4.86 -38.75 4 5 1 66 293.435 8
Mid Mid (pH 6-8) 1.18 5.54 -40.51 4 5 1 66 293.435 8
Lo Low (pH 4.5-6) 1.18 7.14 -116.82 5 5 2 67 294.443 8

Activity (Go SEA)

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