UCSF

ZINC45701872

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) -0.60 4.96 -49.81 2 5 1 63 231.316 9
Hi High (pH 8-9.5) -0.60 3.63 -11.13 1 5 0 59 230.308 9

Activity (Go SEA)

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