UCSF

ZINC08715655

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 35 No

Other Names:

MFCD03779085

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) 2.42 6.48 -21.86 2 9 0 119 479.485 9
Mid Mid (pH 6-8) 1.84 7.28 -29.97 1 9 0 116 479.485 9

Activity (Go SEA)

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