UCSF

ZINC70514821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.27 2.72 -25.99 3 5 1 59 289.44 13
Hi High (pH 8-9.5) 1.27 2.62 -2.29 2 5 0 54 288.432 13
Lo Low (pH 4.5-6) 1.27 4.49 -93.23 4 5 2 60 290.448 13

Activity (Go SEA)

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