UCSF

ZINC04105188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 22 No

Other Names:

MFCD05669192

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) 3.11 8.16 -35.26 1 4 -1 76 315.711 4
Hi High (pH 8-9.5) 4.47 6.5 -111.27 0 4 -2 82 314.703 3

Activity (Go SEA)

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