UCSF

ZINC30030619

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2009 31 No

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) 3.80 10.02 -12.43 0 5 0 46 433.577 6
Mid Mid (pH 6-8) 3.80 12.43 -54.22 1 5 1 47 434.585 6

Activity (Go SEA)

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