UCSF

ZINC45696570

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) 0.96 2.12 -43.69 3 4 1 55 203.306 8
Hi High (pH 8-9.5) 0.96 0.77 -8.77 2 4 0 50 202.298 8

Activity (Go SEA)

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