UCSF

ZINC42865442

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 4.13 9.29 -41.98 1 3 1 41 306.499 5
Mid Mid (pH 6-8) 4.13 7.26 -8.54 0 3 0 40 305.491 5

Activity (Go SEA)

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