UCSF

ZINC37018362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 No

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) 2.58 6.07 -54.05 4 6 1 103 306.729 4
Hi High (pH 8-9.5) 2.58 5.66 -7.43 3 6 0 101 305.721 4

Activity (Go SEA)

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