UCSF

ZINC35165045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 1.79 5.48 -40.11 2 4 1 52 224.28 6
Mid Mid (pH 6-8) 1.79 4.11 -7.47 1 4 0 48 223.272 6

Activity (Go SEA)

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