UCSF

ZINC78739513

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2012 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.88 7.16 -42.4 2 6 1 63 278.332 3
Mid Mid (pH 6-8) 1.88 4.79 -8.75 1 6 0 62 277.324 3

Activity (Go SEA)

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