UCSF

ZINC58194234

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 26 Yes

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) 2.69 9.09 -35.99 1 6 1 65 372.47 8
Hi High (pH 8-9.5) 2.69 8.69 -13.12 0 6 0 64 371.462 8

Activity (Go SEA)

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