UCSF

ZINC42434625

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) 1.94 5.1 -22.19 2 4 1 50 244.318 2
Mid Mid (pH 6-8) 1.94 4.95 -12.8 1 4 0 49 243.31 2

Activity (Go SEA)

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