UCSF

ZINC09612815

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 30 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) 3.78 -2.01 -18.94 2 7 0 108 421.478 6
Hi High (pH 8-9.5) 3.78 -1.43 -56.52 1 7 -1 110 420.47 6

Activity (Go SEA)

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