UCSF

ZINC42496528

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 3.46 7.4 -9.5 1 5 0 50 381.451 6
Mid Mid (pH 6-8) 3.46 9.63 -38.55 2 5 1 52 382.459 6

Activity (Go SEA)

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