UCSF

ZINC62951136

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 3.70 7.42 -37.43 3 2 1 31 267.824 3
Hi High (pH 8-9.5) 3.70 7.08 -1.1 2 2 0 29 266.816 3

Activity (Go SEA)

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