UCSF

ZINC09110022

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 29 No

Other Names:

MFCD01032028

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) 5.33 11.87 -58.07 0 4 -1 60 447.308 4
Mid Mid (pH 6-8) 4.75 12.15 -9.04 0 4 0 54 448.316 4
Mid Mid (pH 6-8) 5.78 12.15 -11.48 1 4 0 58 448.316 3

Activity (Go SEA)

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