UCSF

ZINC37849092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.90 4.43 -38.15 3 4 1 49 287.468 10
Mid Mid (pH 6-8) 1.90 4.99 -29.22 3 4 1 46 287.468 10
Lo Low (pH 4.5-6) 1.90 6.25 -113.38 4 4 2 51 288.476 10

Activity (Go SEA)

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