UCSF

ZINC37103512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.11 9.97 -100.94 3 2 2 21 276.468 3
Hi High (pH 8-9.5) 4.11 9.44 -34.28 2 2 1 16 275.46 3
Hi High (pH 8-9.5) 4.11 7.69 -35.39 2 2 1 20 275.46 3

Activity (Go SEA)

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