UCSF

ZINC21504403

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 Yes

Other Names:

MFCD12737707

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) 2.17 9.14 -88.73 1 5 0 62 261.325 6
Hi High (pH 8-9.5) 2.17 6.93 -56.03 0 5 -1 61 260.317 6
Lo Low (pH 4.5-6) 2.17 9.58 -125.35 2 5 1 64 262.333 6

Activity (Go SEA)

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