UCSF

ZINC01901784

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 22 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) 6.30 0.26 -6.09 0 1 0 12 321.832 2
Lo Low (pH 4.5-6) 6.30 0.42 -25.81 1 1 1 14 322.84 2

Activity (Go SEA)

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