UCSF

ZINC36112921

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 33 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) 0.10 6.07 -39.98 3 7 1 102 446.527 5
Mid Mid (pH 6-8) 0.10 6.87 -23.23 2 7 0 105 445.519 5

Activity (Go SEA)

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