UCSF

ZINC40164068

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 21 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) 2.05 9.42 -61.99 0 4 -1 62 298.24 3
Mid Mid (pH 6-8) 2.05 8.6 -25.31 1 4 0 65 299.248 3

Activity (Go SEA)

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