UCSF

ZINC43446296

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 1.16 4.75 -44.9 3 4 1 63 238.307 7
Mid Mid (pH 6-8) 1.16 3.34 -7.81 2 4 0 59 237.299 7

Activity (Go SEA)

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