UCSF

ZINC09305941

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 26 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) 2.03 5.69 -12.28 2 6 0 79 392.242 4
Ref Reference (pH 7) 2.03 5.69 -11.52 2 6 0 79 392.242 4
Hi High (pH 8-9.5) 2.21 4.4 -56.5 1 6 -1 85 391.234 4

Activity (Go SEA)

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