UCSF

ZINC36123714

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 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) 2.07 7.13 -22.07 1 7 0 92 374.466 5
Hi High (pH 8-9.5) 2.25 5.88 -57.38 0 7 -1 99 373.458 5

Activity (Go SEA)

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