UCSF

ZINC36753578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) -2.68 -1.92 -63.09 5 7 1 114 239.255 1
Hi High (pH 8-9.5) -2.23 -4.66 -86.09 4 7 0 117 238.247 1
Mid Mid (pH 6-8) -2.23 -3.87 -70.64 4 7 0 117 238.247 1

Activity (Go SEA)

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