UCSF

ZINC36194133

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.61 10.23 -46.08 2 4 1 43 375.92 8
Mid Mid (pH 6-8) 4.61 7.64 -7.97 1 4 0 42 374.912 8

Activity (Go SEA)

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