UCSF

ZINC13714422

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

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) 5.90 12.82 -10.3 0 4 0 38 409.533 5
Mid Mid (pH 6-8) 5.90 15.13 -45.79 1 4 1 39 410.541 5

Activity (Go SEA)

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