UCSF

ZINC21806785

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 1.77 3.34 -53.13 3 7 1 109 334.805 4
Hi High (pH 8-9.5) 1.77 2.97 -49.47 2 7 0 111 333.797 4

Activity (Go SEA)

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