UCSF

ZINC59171274

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 22 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) -3.04 3.14 -60.33 2 8 0 96 316.402 4
Hi High (pH 8-9.5) -3.04 0.15 -73.34 1 8 -1 94 315.394 4
Lo Low (pH 4.5-6) -3.04 3.62 -101.15 2 8 0 96 316.402 4
Lo Low (pH 4.5-6) -3.04 1.65 -87.95 3 8 1 93 317.41 4

Activity (Go SEA)

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