UCSF

ZINC04199194

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 22 No

Other Names:

MFCD00225185

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) 4.71 7.92 -8.99 2 4 0 58 374.263 4
Hi High (pH 8-9.5) 5.63 8.89 -51.6 1 4 -1 64 373.255 3
Mid Mid (pH 6-8) 4.71 8.25 -37.94 3 4 1 59 375.271 4

Activity (Go SEA)

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