UCSF

ZINC09460905

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 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) 4.82 12.43 -59.58 0 6 -1 79 488.535 10
Mid Mid (pH 6-8) 4.24 1.13 -18.28 0 6 0 72 489.543 10

Activity (Go SEA)

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