UCSF

ZINC35305489

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 11 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) -0.96 4.31 -33.11 1 4 0 54 161.201 6
Hi High (pH 8-9.5) -0.96 2.02 -46.5 0 4 -1 53 160.193 6

Activity (Go SEA)

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