UCSF

ZINC13161814

Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2008 27 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) 1.04 7.19 -73.16 1 7 0 91 389.477 7
Lo Low (pH 4.5-6) 1.04 6.37 -48.17 2 7 1 88 390.485 7

Activity (Go SEA)

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