UCSF

ZINC19583359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 29 Yes

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) 4.39 8.78 -30.73 1 6 0 76 409.36 6
Hi High (pH 8-9.5) 4.39 6.28 -36.67 0 6 -1 75 408.352 6
Mid Mid (pH 6-8) 4.39 7.99 -47.66 2 6 1 73 410.368 6
Mid Mid (pH 6-8) 4.39 5.71 -9.36 1 6 0 72 409.36 6

Activity (Go SEA)

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