UCSF

ZINC43248540

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 2.21 3.48 -28.2 4 3 1 51 271.45 8
Hi High (pH 8-9.5) 2.21 1.7 -3.29 3 3 0 49 270.442 8
Mid Mid (pH 6-8) 2.21 2.03 -37.67 4 3 1 51 271.45 8
Lo Low (pH 4.5-6) 2.21 3.78 -101.99 5 3 2 52 272.458 8

Activity (Go SEA)

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