UCSF

ZINC19913168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 1.66 6.75 -98.61 3 2 2 21 186.343 5
Hi High (pH 8-9.5) 1.66 5.34 -30.24 2 2 1 16 185.335 5
Mid Mid (pH 6-8) 1.66 4.55 -36.79 2 2 1 20 185.335 5

Activity (Go SEA)

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