UCSF

ZINC34683211

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.55 10.16 -44.04 2 7 1 73 477.581 8
Hi High (pH 8-9.5) 4.55 11.05 -43.86 1 7 0 76 476.573 8

Activity (Go SEA)

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