UCSF

ZINC09302057

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 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) 1.29 5.85 -61.55 1 10 -1 128 470.502 9
Mid Mid (pH 6-8) 1.29 8.12 -80.48 2 10 0 129 471.51 9
Lo Low (pH 4.5-6) 1.29 7.22 -56.48 3 10 1 127 472.518 9

Activity (Go SEA)

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