UCSF

ZINC45699575

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 1.45 5.58 -94.7 4 4 2 51 276.465 12
Hi High (pH 8-9.5) 1.45 4.18 -34.02 3 4 1 46 275.457 12

Activity (Go SEA)

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