UCSF

ZINC09329921

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 27 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) 2.57 7.34 -46.05 1 5 -1 81 362.405 5
Ref Reference (pH 7) 2.57 7.59 -66.11 1 5 -1 81 362.405 6
Mid Mid (pH 6-8) 1.98 -1.78 -12.25 1 5 0 74 363.413 6
Lo Low (pH 4.5-6) 2.57 6.97 -15.29 2 5 0 78 363.413 6

Activity (Go SEA)

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