UCSF

ZINC35025022

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.49 11.03 -71.2 1 7 0 83 452.551 11
Lo Low (pH 4.5-6) 3.49 10.28 -50.55 2 7 1 81 453.559 11

Activity (Go SEA)

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