UCSF

ZINC44857389

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 3.68 11.16 -38.45 1 3 1 31 288.411 4
Mid Mid (pH 6-8) 3.68 8.87 -5.17 0 3 0 30 287.403 4

Activity (Go SEA)

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