UCSF

ZINC36107027

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 1.23 1.52 -12.04 1 6 0 70 319.471 7
Mid Mid (pH 6-8) 1.23 3.87 -54.56 2 6 1 71 320.479 7

Activity (Go SEA)

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