UCSF

ZINC09046273

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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) 3.34 7.24 -65.05 0 7 -1 82 514.396 8
Mid Mid (pH 6-8) 3.79 9.89 -43.47 2 7 1 81 516.412 7
Mid Mid (pH 6-8) 3.34 9.57 -77.33 1 7 0 83 515.404 8

Activity (Go SEA)

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