UCSF

ZINC36353141

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 23 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) 1.95 9.1 -11.85 1 5 0 60 324.771 2
Lo Low (pH 4.5-6) 1.95 9.57 -47.86 2 5 1 61 325.779 2
Lo Low (pH 4.5-6) 1.95 9.57 -35.22 2 5 1 61 325.779 2
Lo Low (pH 4.5-6) 2.13 6.91 -35.11 2 5 1 65 325.779 2

Activity (Go SEA)

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