UCSF

ZINC28313668

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 27 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) 1.94 3.35 -60.45 1 9 -1 125 411.485 5
Hi High (pH 8-9.5) 1.46 2.43 -127.06 0 9 -2 131 410.477 5
Mid Mid (pH 6-8) 1.94 2.32 -25.91 2 9 0 122 412.493 5

Activity (Go SEA)

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