UCSF

ZINC05445499

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 23 No

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) 3.19 8.11 -54.95 0 4 -1 60 371.21 3
Mid Mid (pH 6-8) 3.63 0.1 -17.62 1 4 0 57 372.218 2
Mid Mid (pH 6-8) 2.60 -0.41 -8.95 0 4 0 54 372.218 3

Activity (Go SEA)

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