UCSF

ZINC18272442

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 21 No

Other Names:

MFCD02951624

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) 4.93 8.09 -6.41 1 3 0 45 318.398 2
Ref Reference (pH 7) 4.93 8.52 -6.86 1 3 0 45 318.398 2
Ref Reference (pH 7) 4.43 8.01 -35.51 0 3 -1 44 317.39 3
Hi High (pH 8-9.5) 5.38 6.32 -39.51 0 3 -1 48 317.39 2
Hi High (pH 8-9.5) 5.38 6.99 -38.08 0 3 -1 48 317.39 2

Activity (Go SEA)

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