UCSF

ZINC45621257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.43 5.3 -27.76 2 3 1 39 197.302 6
Hi High (pH 8-9.5) 1.43 4.94 -7.57 1 3 0 38 196.294 6

Activity (Go SEA)

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