UCSF

ZINC36925728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 11 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) -1.20 1.41 -54.94 3 4 1 71 156.209 5
Mid Mid (pH 6-8) -1.20 -0.93 -12.42 2 4 0 70 155.201 5

Activity (Go SEA)

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