UCSF

ZINC55359876

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 22 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) 3.93 9.13 -34.01 2 2 1 25 316.49 6
Hi High (pH 8-9.5) 3.93 7.32 -6.17 1 2 0 23 315.482 6

Activity (Go SEA)

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