UCSF

ZINC38558501

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 29 Yes

Other Names:

MFCD16882957

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) 3.15 5.89 -11.33 1 6 0 64 394.471 5
Hi High (pH 8-9.5) 3.15 6.64 -51.44 0 6 -1 67 393.463 5
Lo Low (pH 4.5-6) 3.15 7.54 -27.88 2 6 1 65 395.479 5

Activity (Go SEA)

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