UCSF

ZINC52102096

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 24 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) 1.35 6.91 -39.97 2 6 1 63 354.496 9
Hi High (pH 8-9.5) 1.35 4.57 -15.95 1 6 0 62 353.488 9

Activity (Go SEA)

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