UCSF

ZINC36107041

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 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) 2.57 3.41 -10.97 1 6 0 70 387.933 6
Mid Mid (pH 6-8) 2.57 6.16 -53.49 2 6 1 71 388.941 6

Activity (Go SEA)

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