UCSF

ZINC37417829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 21 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) 2.75 0.07 -96 1 7 -2 122 346.773 4
Hi High (pH 8-9.5) 2.29 2.36 -111.13 1 7 -2 121 346.773 4
Mid Mid (pH 6-8) 2.29 2.34 -43.6 2 7 -1 119 347.781 4
Mid Mid (pH 6-8) 2.75 0.24 -189.77 0 7 -3 124 345.765 4

Activity (Go SEA)

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