UCSF

ZINC37485756

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 18 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) 1.32 3.48 -6.52 1 3 0 36 242.322 5
Mid Mid (pH 6-8) 1.32 5.89 -43.11 2 3 1 38 243.33 5

Activity (Go SEA)

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