UCSF

ZINC20101813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 39 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) 4.74 13.81 -73.52 1 8 0 93 538.685 14
Hi High (pH 8-9.5) 4.74 11.6 -58.6 0 8 -1 91 537.677 14

Activity (Go SEA)

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