UCSF

ZINC45628484

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.57 9.63 -42.14 3 3 1 54 284.379 8
Hi High (pH 8-9.5) 1.57 9.3 -5.75 2 3 0 52 283.371 8

Activity (Go SEA)

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