UCSF

ZINC42681380

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 20 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) 3.33 7.66 -40.02 1 3 1 17 342.301 5
Hi High (pH 8-9.5) 3.33 7.6 -37.8 1 3 1 17 342.301 5
Lo Low (pH 4.5-6) 3.33 9.91 -108.4 2 3 2 18 343.309 5

Activity (Go SEA)

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