UCSF

ZINC13893331

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 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) 2.55 4.2 -44.38 0 7 -1 93 430.234 4
Lo Low (pH 4.5-6) 2.09 6.86 -11.4 1 7 0 90 431.242 4

Activity (Go SEA)

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