UCSF

ZINC01161458

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 32 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) 3.88 10.44 -36.87 0 6 -1 83 468.316 6
Mid Mid (pH 6-8) 4.33 9.05 -30.72 1 6 0 80 469.324 5
Mid Mid (pH 6-8) 3.30 10.07 -22.8 0 6 0 77 469.324 6
Lo Low (pH 4.5-6) 4.33 9.33 -57.93 2 6 1 81 470.332 5
Lo Low (pH 4.5-6) 3.30 10.35 -59.93 1 6 1 78 470.332 6

Activity (Go SEA)

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