UCSF

ZINC09008912

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 32 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) 2.58 8.58 -65.67 0 7 -1 92 429.452 7
Mid Mid (pH 6-8) 3.03 7.41 -13.79 1 7 0 89 430.46 6
Lo Low (pH 4.5-6) 3.03 7.7 -45.91 2 7 1 90 431.468 6

Activity (Go SEA)

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