UCSF

ZINC60141931

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 19 Yes

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) -2.37 -4.04 -49.81 6 9 1 141 275.285 8
Mid Mid (pH 6-8) -2.37 -4.45 -12.34 5 9 0 140 274.277 8

Activity (Go SEA)

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