UCSF

ZINC04418477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 35 Yes

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) 3.21 9.65 -59.89 3 8 -1 127 481.513 5
Hi High (pH 8-9.5) 3.28 8.22 -149.66 2 8 -2 133 480.505 5
Mid Mid (pH 6-8) 4.51 -6.13 -19.73 4 8 0 124 482.521 5
Mid Mid (pH 6-8) 4.06 7.93 -24.98 4 8 0 129 482.521 5

Activity (Go SEA)

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