UCSF

ZINC32586130

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 3.08 4.21 -45.94 0 4 -1 57 316.28 4
Mid Mid (pH 6-8) 3.08 4.14 -13.76 1 4 0 55 317.288 4

Activity (Go SEA)

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