UCSF

ZINC45699489

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 3.23 7.66 -34.65 1 3 1 25 334.303 8
Hi High (pH 8-9.5) 3.23 5.19 -4.79 0 3 0 24 333.295 8

Activity (Go SEA)

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