UCSF

ZINC02939417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 28 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) 5.28 10.76 -53.97 2 4 1 37 433.281 5
Mid Mid (pH 6-8) 5.28 8.61 -9.56 1 4 0 36 432.273 5

Activity (Go SEA)

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