UCSF

ZINC42577588

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) 4.19 6.26 -2.09 3 2 0 38 218.344 3
Mid Mid (pH 6-8) 4.19 6.17 -30.15 4 2 1 43 219.352 3

Activity (Go SEA)

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