UCSF

ZINC36753396

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) -0.32 2.58 -62.63 3 7 0 108 238.247 2
Mid Mid (pH 6-8) -0.32 2.75 -64.28 4 7 1 110 239.255 2

Activity (Go SEA)

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