UCSF

ZINC70514302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.59 7.71 -178.58 5 4 3 46 298.495 8
Mid Mid (pH 6-8) 1.59 5.73 -76.16 4 4 2 45 297.487 8
Mid Mid (pH 6-8) 1.59 7.32 -88.63 4 4 2 41 297.487 8

Activity (Go SEA)

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