UCSF

ZINC20229300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 26 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) 5.72 8.23 -11.62 1 5 0 64 409.294 4
Ref Reference (pH 7) 5.23 8.02 -39.47 0 5 -1 63 408.286 5
Hi High (pH 8-9.5) 6.18 6.18 -48.42 0 5 -1 67 408.286 4

Activity (Go SEA)

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