UCSF

ZINC00163639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 22 Yes

Other Names:

MFCD01313919

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) 2.66 8.11 -92.32 3 4 2 43 294.402 5
Hi High (pH 8-9.5) 2.66 5.3 -8.94 1 4 0 41 292.386 5
Mid Mid (pH 6-8) 2.66 7.78 -52.01 2 4 1 42 293.394 5

Activity (Go SEA)

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