UCSF

ZINC45619360

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.42 7.43 -39.74 2 5 1 54 265.381 6
Mid Mid (pH 6-8) 1.42 5.23 -7.61 1 5 0 52 264.373 6

Activity (Go SEA)

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