UCSF

ZINC37087765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.70 8.48 -44.95 1 3 -1 52 288.392 7
Mid Mid (pH 6-8) 3.70 9.99 -30.36 2 3 0 57 289.4 7

Activity (Go SEA)

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