UCSF

ZINC39485968

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 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) 2.24 6.22 -45.96 2 6 1 57 394.511 7
Hi High (pH 8-9.5) 2.24 3.8 -10.33 1 6 0 56 393.503 7
Mid Mid (pH 6-8) 2.24 5.93 -39.23 2 6 1 57 394.511 7

Activity (Go SEA)

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