UCSF

ZINC09044005

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 26 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) 2.59 8.99 -52.18 1 6 -1 87 370.454 5
Mid Mid (pH 6-8) 2.66 6.07 -142.75 0 6 -2 93 369.446 5

Activity (Go SEA)

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