UCSF

ZINC44262963

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 3.38 6.17 -7.51 2 4 0 61 257.337 3
Mid Mid (pH 6-8) 3.38 6.51 -26.62 3 4 1 62 258.345 3

Activity (Go SEA)

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