UCSF

ZINC37097671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) -0.17 5.01 -47.5 2 5 1 57 254.354 4
Hi High (pH 8-9.5) -0.17 3.86 -4.78 1 5 0 53 253.346 4

Activity (Go SEA)

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