UCSF

ZINC04163081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 24 No

Other Names:

MFCD03863367

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) 1.84 0.04 -11.29 4 7 0 117 326.356 3
Lo Low (pH 4.5-6) 1.84 1.09 -56.42 5 7 1 119 327.364 3

Activity (Go SEA)

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