UCSF

ZINC44503913

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 0.88 2.24 -72.13 3 8 0 132 315.351 5
Mid Mid (pH 6-8) 0.88 1.26 -51.3 4 8 1 129 316.359 5

Activity (Go SEA)

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