UCSF

ZINC36141134

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 1.07 2.7 -45.49 3 7 1 89 317.369 6
Mid Mid (pH 6-8) 1.52 0.98 -65.02 2 7 0 92 316.361 6

Activity (Go SEA)

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