UCSF

ZINC09060710

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 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) 2.06 6.27 -14.16 3 8 0 103 429.48 6
Lo Low (pH 4.5-6) 1.87 3.99 -49.34 4 8 1 108 430.488 6
Lo Low (pH 4.5-6) 2.06 6.73 -48.58 4 8 1 105 430.488 6

Activity (Go SEA)

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