UCSF

ZINC27761875

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 20 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) 2.62 6.89 -50.89 1 5 -1 87 279.312 8
Mid Mid (pH 6-8) 2.62 7.74 -105.52 0 5 -2 89 278.304 8

Activity (Go SEA)

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