UCSF

ZINC34473266

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 29 No

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) 3.15 8.87 -55.67 2 6 1 63 397.495 6
Hi High (pH 8-9.5) 3.15 6.65 -14.97 1 6 0 62 396.487 6

Activity (Go SEA)

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