UCSF

ZINC37042087

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) 2.71 6.18 -53.62 4 6 1 103 351.18 4
Hi High (pH 8-9.5) 2.71 5.78 -6.19 3 6 0 101 350.172 4

Activity (Go SEA)

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