UCSF

ZINC44515697

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) 3.29 6.68 -102 4 3 2 41 305.249 4
Mid Mid (pH 6-8) 3.29 7.44 -70.46 3 3 1 44 304.241 4

Activity (Go SEA)

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