UCSF

ZINC20438758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 31 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) 3.65 11.43 -73.74 1 6 0 74 422.525 8
Hi High (pH 8-9.5) 3.65 8.9 -58.39 0 6 -1 73 421.517 8
Lo Low (pH 4.5-6) 3.65 10.61 -51.89 2 6 1 71 423.533 8

Activity (Go SEA)

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