UCSF

ZINC36359931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 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) 3.18 6.91 -13.1 1 5 0 73 338.436 2
Ref Reference (pH 7) 3.00 9.42 -11.99 1 5 0 69 338.436 2

Activity (Go SEA)

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