UCSF

ZINC19990070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 25 No

Other Names:

MFCD04088943

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) 0.73 1.75 -47.33 4 8 -1 125 372.308 4
Lo Low (pH 4.5-6) 0.27 2.83 -18.4 5 8 0 122 373.316 4

Activity (Go SEA)

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