UCSF

ZINC35663808

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 17 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) 1.01 6.47 -32.01 3 4 1 56 253.395 5
Mid Mid (pH 6-8) 1.01 5.99 -11.56 2 4 0 55 252.387 5

Activity (Go SEA)

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