UCSF

ZINC21274604

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 23 No

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) 3.91 9.23 -45.6 0 6 -1 95 312.301 6
Mid Mid (pH 6-8) 3.91 8.26 -13.07 1 6 0 92 313.309 6

Activity (Go SEA)

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