UCSF

ZINC27749163

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 35 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) 4.27 7.07 -16.81 3 8 0 108 479.577 11
Hi High (pH 8-9.5) 4.27 7.84 -46.39 2 8 -1 111 478.569 11

Activity (Go SEA)

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