UCSF

ZINC27774327

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 28 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) 2.92 5.98 -36.09 3 5 1 60 394.417 7
Mid Mid (pH 6-8) 2.92 6.38 -44.68 3 5 1 60 394.417 7
Mid Mid (pH 6-8) 2.92 4.06 -9.57 2 5 0 59 393.409 7

Activity (Go SEA)

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