UCSF

ZINC08820813

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 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) 6.00 9.07 -18.35 2 5 0 71 436.92 6
Mid Mid (pH 6-8) 6.00 8.53 -43.61 1 5 -1 74 435.912 6

Activity (Go SEA)

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