UCSF

ZINC35015576

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.45 7.01 -51.18 2 4 1 44 426.169 11
Hi High (pH 8-9.5) 3.45 5.65 -6.55 1 4 0 40 425.161 11

Activity (Go SEA)

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