UCSF

ZINC34985640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 25 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) 4.07 11.66 -18.64 1 4 0 47 327.387 4
Mid Mid (pH 6-8) 4.07 12.14 -41.95 2 4 1 48 328.395 4

Activity (Go SEA)

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