UCSF

ZINC05613565

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 23 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) 2.99 3.01 -11.42 3 6 0 95 374.194 2
Hi High (pH 8-9.5) 3.45 0.96 -58.38 2 6 -1 98 373.186 2
Hi High (pH 8-9.5) 3.45 1.26 -45.29 2 6 -1 98 373.186 2

Activity (Go SEA)

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