UCSF

ZINC48264807

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 22 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) 3.11 7.47 -11.01 0 4 0 39 303.402 5
Mid Mid (pH 6-8) 3.11 9.64 -33.89 1 4 1 40 304.41 5

Activity (Go SEA)

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