UCSF

ZINC35005666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 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) 3.95 11.38 -68.55 1 7 0 83 505.398 8
Lo Low (pH 4.5-6) 3.95 10.63 -54.93 2 7 1 81 506.406 8

Activity (Go SEA)

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