UCSF

ZINC09453026

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 27 No

Other Names:

MFCD04010643

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) 2.34 4.85 -62.69 1 6 -1 90 451.318 8
Mid Mid (pH 6-8) 2.79 3.81 -32.36 2 6 0 87 452.326 7

Activity (Go SEA)

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