UCSF

ZINC38277412

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 29 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) 3.30 8.72 -58.23 0 6 -1 83 392.431 6
Mid Mid (pH 6-8) 3.30 7.97 -12.11 1 6 0 80 393.439 6

Activity (Go SEA)

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