UCSF

ZINC37081117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.80 2.02 -56.81 3 4 1 65 241.336 4
Hi High (pH 8-9.5) 0.80 1.62 -8.28 2 4 0 63 240.328 4

Activity (Go SEA)

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