UCSF

ZINC13680807

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 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) 3.58 5.73 -15.1 2 6 0 80 377.444 3
Ref Reference (pH 7) 3.40 8.14 -14.61 2 6 0 76 377.444 3

Activity (Go SEA)

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