UCSF

ZINC58333184

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 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) 3.50 3.61 -12.72 2 5 0 79 328.393 3
Mid Mid (pH 6-8) 3.50 3.61 -48.12 1 5 -1 81 327.385 3

Activity (Go SEA)

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