UCSF

ZINC44263307

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) 3.90 9.86 -6.93 2 4 0 55 276.771 4
Mid Mid (pH 6-8) 3.90 10.11 -26.58 3 4 1 56 277.779 4

Activity (Go SEA)

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