UCSF

ZINC19868466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 1.27 6.1 -42.03 1 5 1 37 318.441 3
Hi High (pH 8-9.5) 1.27 3.63 -9.93 0 5 0 36 317.433 3
Mid Mid (pH 6-8) 1.27 5.9 -47.19 1 5 1 37 318.441 3

Activity (Go SEA)

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