UCSF

ZINC45702418

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 13 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) -0.54 4.59 -55.85 2 5 0 83 189.211 8
Hi High (pH 8-9.5) -0.54 3.24 -46.41 1 5 -1 78 188.203 8

Activity (Go SEA)

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