UCSF

ZINC44415445

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 14 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) 2.58 7.37 -109.22 3 2 2 21 200.37 6
Hi High (pH 8-9.5) 2.58 6.19 -33.19 2 2 1 16 199.362 6
Mid Mid (pH 6-8) 2.58 5.2 -34.07 2 2 1 20 199.362 6

Activity (Go SEA)

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