UCSF

ZINC37468816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 0.18 4.86 -40.63 4 4 1 66 279.404 9
Hi High (pH 8-9.5) 0.18 4.53 -7.01 3 4 0 64 278.396 9

Activity (Go SEA)

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