UCSF

ZINC20029230

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 30 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) 3.72 11.89 -68.4 1 5 0 65 410.489 8
Hi High (pH 8-9.5) 3.72 9.57 -58.34 0 5 -1 64 409.481 8
Lo Low (pH 4.5-6) 3.72 11.06 -48.62 2 5 1 62 411.497 8

Activity (Go SEA)

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