UCSF

ZINC45695465

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 11 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) 0.94 1.75 -6.21 1 3 0 45 156.229 5
Mid Mid (pH 6-8) 0.94 2.99 -48.33 2 3 1 50 157.237 5

Activity (Go SEA)

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