UCSF

ZINC34864776

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 32 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) 5.05 12.42 -18 1 6 0 75 469.01 8
Hi High (pH 8-9.5) 5.24 10.96 -53.9 0 6 -1 82 468.002 8

Activity (Go SEA)

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