UCSF

ZINC13571395

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 25 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) 1.43 6.73 -18.33 1 6 0 73 371.443 4
Hi High (pH 8-9.5) 1.50 5.04 -58.52 0 6 -1 80 370.435 4

Activity (Go SEA)

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