UCSF

ZINC29133834

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 28 No

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) 3.99 6.06 -22.38 3 6 0 95 394.452 6
Hi High (pH 8-9.5) 3.99 7.32 -109.98 1 6 -2 100 392.436 6
Mid Mid (pH 6-8) 3.99 6.1 -60.47 2 6 -1 98 393.444 6

Activity (Go SEA)

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