UCSF

ZINC42906423

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) 1.93 7.2 -131.32 4 3 2 45 283.419 4
Hi High (pH 8-9.5) 1.93 7.05 -33.47 3 3 1 43 282.411 4
Mid Mid (pH 6-8) 1.93 5.28 -50.06 3 3 1 44 282.411 4
Lo Low (pH 4.5-6) 1.92 5.91 -95.52 4 3 2 45 283.419 4

Activity (Go SEA)

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