UCSF

ZINC37004890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.59 3.75 -47.3 4 6 1 87 252.342 4
Hi High (pH 8-9.5) -0.59 2.93 -12.03 3 6 0 86 251.334 4

Activity (Go SEA)

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