UCSF

ZINC28769463

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 24 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) 4.51 3.41 -35.47 5 4 1 69 411.136 5
Hi High (pH 8-9.5) 4.51 4.19 -44.44 4 4 0 72 410.128 5
Mid Mid (pH 6-8) 4.51 4.11 -98.47 6 4 2 74 412.144 5

Activity (Go SEA)

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