UCSF

ZINC19281773

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 12 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) 1.83 3.31 -42.44 3 2 1 31 173.324 7
Mid Mid (pH 6-8) 1.83 4.4 -28.08 3 2 1 30 173.324 7
Mid Mid (pH 6-8) 1.83 5.21 -113.26 4 2 2 32 174.332 7

Activity (Go SEA)

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