UCSF

ZINC37049915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.69 2.8 -47.9 3 4 1 49 265.377 6
Mid Mid (pH 6-8) 1.69 5.07 -91.6 4 4 2 51 266.385 6

Activity (Go SEA)

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