UCSF

ZINC05197602

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 3.52 2.41 -10.01 4 7 0 117 394.818 3
Hi High (pH 8-9.5) 3.41 1.93 -42.86 2 7 -1 116 393.81 3
Lo Low (pH 4.5-6) 3.52 2.44 -56.21 5 7 1 119 395.826 3

Activity (Go SEA)

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