UCSF

ZINC06381684

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 26 No

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) 2.15 4.97 -52.03 1 8 -1 124 353.31 5
Mid Mid (pH 6-8) 2.59 -1.14 -22.3 2 8 0 121 354.318 4

Activity (Go SEA)

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