UCSF

ZINC39294174

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 17 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) 1.11 2.97 -32.08 2 3 1 28 233.335 4
Mid Mid (pH 6-8) 1.11 0.73 -3.99 1 3 0 27 232.327 4
Mid Mid (pH 6-8) 1.11 3.14 -34.43 2 3 1 28 233.335 4

Activity (Go SEA)

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