UCSF

ZINC04113406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 19 No

Other Names:

MFCD00523381

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) 1.80 7.86 -50 0 5 -1 78 266.317 6
Lo Low (pH 4.5-6) 1.80 5.88 -10.83 1 5 0 75 267.325 6

Activity (Go SEA)

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