UCSF

ZINC27195779

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 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) 4.64 6.57 -88.85 0 3 -2 63 281.094 2
Mid Mid (pH 6-8) 4.64 5.91 -50.91 1 3 -1 60 282.102 2

Activity (Go SEA)

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