UCSF

ZINC37292746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 3.95 9.5 -32.41 2 2 1 16 319.519 4
Lo Low (pH 4.5-6) 3.95 8.51 -40.17 2 2 1 20 319.519 4
Lo Low (pH 4.5-6) 3.95 10.76 -113.76 3 2 2 21 320.527 4

Activity (Go SEA)

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