UCSF

ZINC17195041

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 26 No

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) 6.00 7.83 -8.96 2 5 0 78 428.311 1
Mid Mid (pH 6-8) 6.45 5.9 -40.91 1 5 -1 81 427.303 1
Mid Mid (pH 6-8) 5.96 5.81 -102.12 0 5 -2 80 426.295 2
Mid Mid (pH 6-8) 6.45 6.18 -39.58 1 5 -1 81 427.303 1
Mid Mid (pH 6-8) 6.45 6.53 -45.5 1 5 -1 81 427.303 1
Mid Mid (pH 6-8) 6.91 4.55 -104.39 0 5 -2 84 426.295 1
Mid Mid (pH 6-8) 6.45 6.04 -46.89 1 5 -1 81 427.303 1
Mid Mid (pH 6-8) 6.91 4.05 -106.41 0 5 -2 84 426.295 1

Activity (Go SEA)

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