UCSF

ZINC64819790

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2011 27 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) 5.03 7.2 -9.12 1 5 0 62 490.151 2
Mid Mid (pH 6-8) 5.03 7.96 -44.44 0 5 -1 65 489.143 2

Activity (Go SEA)

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