UCSF

ZINC36103595

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) 1.79 2.57 -11.61 0 7 0 68 368.455 4
Mid Mid (pH 6-8) 1.79 4.56 -48.75 1 7 1 70 369.463 4

Activity (Go SEA)

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