UCSF

ZINC60028676

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.26 8.06 -56.09 1 8 -1 115 533.051 7
Hi High (pH 8-9.5) 4.26 8.11 -111.15 0 8 -2 117 532.043 7
Mid Mid (pH 6-8) 4.26 8.04 -53.18 1 8 -1 115 533.051 7
Mid Mid (pH 6-8) 4.26 8.01 -18.32 2 8 0 113 534.059 7

Activity (Go SEA)

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