UCSF

ZINC36778621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 4.56 8.93 -6.48 1 2 0 25 283.346 5
Lo Low (pH 4.5-6) 4.56 10.16 -46.18 2 2 1 30 284.354 5

Activity (Go SEA)

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