UCSF

ZINC34581261

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 1.02 7.11 -14.7 2 9 0 132 402.794 4
Hi High (pH 8-9.5) 1.92 4.91 -42.95 1 9 -1 135 401.786 4

Activity (Go SEA)

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