UCSF

ZINC42580401

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 13 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) 1.56 3.34 -39.78 3 2 1 31 185.335 6
Mid Mid (pH 6-8) 1.56 4.92 -114.2 4 2 2 32 186.343 6
Mid Mid (pH 6-8) 1.56 4.55 -26.66 3 2 1 30 185.335 6

Activity (Go SEA)

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