UCSF

ZINC22611965

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 27 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) 3.24 6.99 -17.2 1 5 0 55 366.461 5
Mid Mid (pH 6-8) 3.24 9 -53.49 2 5 1 56 367.469 5

Activity (Go SEA)

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