UCSF

ZINC37811474

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.38 4.32 -96.69 4 5 2 62 311.451 3
Hi High (pH 8-9.5) 0.38 1.07 -9.28 2 5 0 56 309.435 3
Mid Mid (pH 6-8) 0.38 2.46 -40.87 3 5 1 60 310.443 3

Activity (Go SEA)

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