UCSF

ZINC09454070

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 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) 2.95 9.06 -60.05 0 8 -1 101 460.462 7
Mid Mid (pH 6-8) 3.40 7.32 -29.02 1 8 0 98 461.47 6

Activity (Go SEA)

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