UCSF

ZINC06420251

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 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) 1.01 6.57 -39.85 0 9 -1 128 382.352 7
Mid Mid (pH 6-8) 1.45 5.28 -22.55 1 9 0 126 383.36 6
Mid Mid (pH 6-8) 0.42 6.5 -17.75 0 9 0 122 383.36 7
Lo Low (pH 4.5-6) 1.01 6.41 -56.77 2 9 1 127 384.368 7
Lo Low (pH 4.5-6) 0.42 6.78 -50.6 1 9 1 124 384.368 7

Activity (Go SEA)

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