UCSF

ZINC34825260

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 3.13 10.28 -50.68 2 3 1 34 266.368 3
Hi High (pH 8-9.5) 3.13 8.83 -7.83 1 3 0 30 265.36 3
Lo Low (pH 4.5-6) 3.13 10.75 -84.52 3 3 2 36 267.376 3

Activity (Go SEA)

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