UCSF

ZINC69350572

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 18 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) 2.76 5.77 -42.44 1 4 1 43 266.287 8
Mid Mid (pH 6-8) 2.76 3.81 -7.88 0 4 0 42 265.279 8

Activity (Go SEA)

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