UCSF

ZINC08779882

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 34 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) 3.41 10.23 -62.66 0 7 -1 92 457.506 9
Mid Mid (pH 6-8) 3.85 8.33 -30.13 1 7 0 89 458.514 8
Lo Low (pH 4.5-6) 3.85 8.61 -52.17 2 7 1 90 459.522 8

Activity (Go SEA)

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