UCSF

ZINC36614943

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 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) 1.70 3.91 -12.32 0 6 0 58 370.425 5
Mid Mid (pH 6-8) 1.70 6.13 -54.44 1 6 1 60 371.433 5

Activity (Go SEA)

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