UCSF

ZINC36360937

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 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) 2.69 7.12 -22.9 1 8 0 98 420.86 2
Ref Reference (pH 7) 2.51 8.99 -14.49 1 8 0 95 420.86 2

Activity (Go SEA)

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