UCSF

ZINC35135183

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 19 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) 3.07 9 -58.93 1 4 -1 69 268.377 6
Mid Mid (pH 6-8) 3.07 6.96 -10.68 2 4 0 66 269.385 6

Activity (Go SEA)

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