UCSF

ZINC33515773

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 35 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) 3.70 11.92 -53.01 2 8 0 107 502.011 11
Hi High (pH 8-9.5) 3.70 9.62 -42.14 1 8 -1 106 501.003 11
Lo Low (pH 4.5-6) 3.70 10.79 -57.24 3 8 1 104 503.019 11

Activity (Go SEA)

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