UCSF

ZINC08739806

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 4.27 9.41 -23.04 1 6 0 73 391.452 5
Mid Mid (pH 6-8) 4.34 8.5 -52.87 0 6 -1 80 390.444 5

Activity (Go SEA)

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