UCSF

ZINC27529259

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 33 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) 6.60 17.42 -39.23 1 2 1 8 433.619 7
Mid Mid (pH 6-8) 6.60 17.14 -35.25 1 2 1 8 433.619 7
Mid Mid (pH 6-8) 6.60 15.29 -4.3 0 2 0 6 432.611 7

Activity (Go SEA)

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