UCSF

ZINC09007641

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 33 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) 4.64 12.49 -70.57 1 6 0 74 515.448 9
Mid Mid (pH 6-8) 4.05 1.14 -47.43 1 6 1 68 516.456 9

Activity (Go SEA)

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