UCSF

ZINC18100213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 28 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) 4.03 10.56 -64.21 0 5 -1 73 389.456 4
Mid Mid (pH 6-8) 4.03 10.53 -14.25 1 5 0 71 390.464 4
Mid Mid (pH 6-8) 3.44 10.82 -13.42 0 5 0 67 390.464 4

Activity (Go SEA)

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