UCSF

ZINC04501579

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 15 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) 2.46 6.74 -32.43 2 2 1 26 203.24 3
Mid Mid (pH 6-8) 2.46 6.26 -5.57 1 2 0 25 202.232 3

Activity (Go SEA)

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