UCSF

ZINC13127440

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 30 No

Other Names:

MFCD03779695

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 5.29 -65.64 1 7 -1 99 410.446 10
Lo Low (pH 4.5-6) 2.07 4.53 -17.11 2 7 0 96 411.454 10

Activity (Go SEA)

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