UCSF

ZINC36929114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 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) 1.49 3.58 -8.03 1 3 0 46 203.241 1
Mid Mid (pH 6-8) 1.68 1 -43.5 0 3 -1 52 202.233 1

Activity (Go SEA)

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