UCSF

ZINC13729861

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 22 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) 4.24 9.5 -8.12 0 3 0 46 292.382 4
Lo Low (pH 4.5-6) 4.24 10.22 -34.26 1 3 1 47 293.39 4

Activity (Go SEA)

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