UCSF

ZINC61818751

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) 1.31 4.72 -106.58 4 2 2 32 186.343 3
Mid Mid (pH 6-8) 1.31 4.33 -30.36 3 2 1 30 185.335 3
Mid Mid (pH 6-8) 1.31 2.94 -40.34 3 2 1 31 185.335 3

Activity (Go SEA)

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