UCSF

ZINC26787078

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 28 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) 4.22 8.9 -13.88 0 5 0 76 392.48 4
Mid Mid (pH 6-8) 4.22 9.26 -36.97 1 5 1 78 393.488 4

Activity (Go SEA)

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