UCSF

ZINC20073320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.93 6.14 -38.86 2 3 1 20 274.432 3
Lo Low (pH 4.5-6) 1.93 8.55 -105.69 3 3 2 21 275.44 3

Activity (Go SEA)

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