UCSF

ZINC37292763

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.36 4.25 -39.87 4 4 1 60 274.388 4
Mid Mid (pH 6-8) 1.36 3.14 -52.78 4 4 1 63 274.388 4
Lo Low (pH 4.5-6) 1.36 5.4 -124.68 5 4 2 64 275.396 4

Activity (Go SEA)

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