UCSF

ZINC36331068

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 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) 2.62 4.85 -67.41 2 3 1 51 306.81 3
Hi High (pH 8-9.5) 2.62 3.77 -13.42 1 3 0 46 305.802 3

Activity (Go SEA)

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