UCSF

ZINC13427448

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 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) 3.54 11.41 -75.5 1 7 0 83 452.551 10
Mid Mid (pH 6-8) 3.99 10.66 -50.38 2 7 1 81 453.559 9

Activity (Go SEA)

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