UCSF

ZINC36272046

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.51 9.43 -78.45 4 6 2 61 395.551 6
Hi High (pH 8-9.5) 3.51 8.05 -10.14 2 6 0 59 393.535 6
Mid Mid (pH 6-8) 3.51 10.33 -46.46 3 6 1 60 394.543 6
Mid Mid (pH 6-8) 3.51 7.16 -27.06 3 6 1 60 394.543 6

Activity (Go SEA)

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