UCSF

ZINC27230631

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 27 No

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) 5.29 10.16 -10.38 1 5 0 59 377.469 4
Mid Mid (pH 6-8) 4.80 10.07 -20.31 1 5 0 56 377.469 5

Activity (Go SEA)

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