UCSF

ZINC29189112

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.14 10.05 -38.67 1 4 1 30 392.548 5
Mid Mid (pH 6-8) 4.14 10.12 -44.26 1 4 1 30 392.548 5
Mid Mid (pH 6-8) 4.14 7.74 -8.27 0 4 0 29 391.54 5

Activity (Go SEA)

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