UCSF

ZINC36125571

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 No

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) 2.57 5.43 -61.59 1 6 0 77 353.488 5
Mid Mid (pH 6-8) 2.57 4.89 -55.57 2 6 1 74 354.496 5
Mid Mid (pH 6-8) 2.57 3.91 -56.38 0 6 -1 76 352.48 5

Activity (Go SEA)

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