UCSF

ZINC52503476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.81 6.69 -41.3 2 2 1 20 253.332 9
Hi High (pH 8-9.5) 2.81 6.06 -1.26 1 2 0 15 252.324 9
Mid Mid (pH 6-8) 2.81 7.53 -115.55 3 2 2 21 254.34 9

Activity (Go SEA)

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