UCSF

ZINC36107104

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 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) 2.32 3.53 -12.19 1 7 0 79 397.541 8
Mid Mid (pH 6-8) 2.32 5.87 -53.72 2 7 1 80 398.549 8

Activity (Go SEA)

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