UCSF

ZINC09007661

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 34 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) 1.40 5.12 -47.42 0 9 -1 104 486.57 8
Mid Mid (pH 6-8) 0.82 7.33 -49.65 1 9 1 99 488.586 8
Mid Mid (pH 6-8) 1.40 7.47 -55.9 1 9 0 105 487.578 8

Activity (Go SEA)

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