UCSF

ZINC09014175

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 31 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) 4.55 7.99 -51.4 1 6 -1 91 412.469 3
Mid Mid (pH 6-8) 4.09 10.34 -8.85 2 6 0 88 413.477 3

Activity (Go SEA)

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