UCSF

ZINC22633677

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 28 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) 3.99 11.36 -44.31 3 4 1 46 390.532 3
Mid Mid (pH 6-8) 3.99 9.03 -14.56 2 4 0 44 389.524 3

Activity (Go SEA)

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