UCSF

ZINC42392371

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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
Hi High (pH 8-9.5) 1.70 8.51 -94.18 4 3 2 35 281.419 5
Mid Mid (pH 6-8) 1.70 6.17 -96.66 4 3 2 35 281.419 5
Lo Low (pH 4.5-6) 1.70 8.22 -203.91 5 3 3 37 282.427 5

Activity (Go SEA)

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