UCSF

ZINC61992500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 19 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) 1.93 4.33 -38.46 2 4 1 38 265.377 8
Mid Mid (pH 6-8) 1.93 6.63 -111.61 3 4 2 40 266.385 8
Mid Mid (pH 6-8) 1.93 5.22 -34.43 2 4 1 35 265.377 8

Activity (Go SEA)

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