UCSF

ZINC09152010

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 31 Yes

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) 2.81 -4.92 -15.62 2 8 0 106 439.493 5
Hi High (pH 8-9.5) 2.81 -4.34 -47.14 1 8 -1 108 438.485 5

Activity (Go SEA)

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