UCSF

ZINC45966682

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 25 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) 2.21 7.69 -12.76 1 5 0 53 345.487 8
Mid Mid (pH 6-8) 2.21 8.99 -51.64 2 5 1 57 346.495 8

Activity (Go SEA)

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