UCSF

ZINC36876594

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 2.41 5.73 -38.19 3 4 1 55 258.345 3
Hi High (pH 8-9.5) 2.41 4.32 -7.94 2 4 0 50 257.337 3
Mid Mid (pH 6-8) 2.41 6.17 -111.73 4 4 2 56 259.353 3

Activity (Go SEA)

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