UCSF

ZINC36747443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 13 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) -1.43 -2.47 -49.58 5 5 1 89 204.275 4
Mid Mid (pH 6-8) -1.43 -3.83 -18.82 4 5 0 84 203.267 4

Activity (Go SEA)

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