UCSF

ZINC45628483

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 0.73 2.18 -6.32 3 4 0 73 223.272 7
Mid Mid (pH 6-8) 0.73 2.57 -40.57 4 4 1 74 224.28 7

Activity (Go SEA)

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