UCSF

ZINC37049306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.31 4.35 -94.32 4 4 2 48 264.417 7
Hi High (pH 8-9.5) 0.31 2.09 -44.79 3 4 1 47 263.409 7
Mid Mid (pH 6-8) 0.31 4.35 -84.51 4 4 2 48 264.417 7
Lo Low (pH 4.5-6) 0.31 5.07 -151.48 5 4 3 49 265.425 7

Activity (Go SEA)

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