UCSF

ZINC37817117

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.95 5.98 -45.74 3 4 1 61 276.404 4
Mid Mid (pH 6-8) 1.95 5.55 -5.8 2 4 0 59 275.396 4
Lo Low (pH 4.5-6) 1.95 6.31 -116.61 4 4 2 62 277.412 4

Activity (Go SEA)

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