UCSF

ZINC20745646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 27 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) 3.06 7.93 -14.25 1 6 0 76 377.473 4
Ref Reference (pH 7) 2.87 10.11 -17.86 1 6 0 73 377.473 4

Activity (Go SEA)

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