UCSF

ZINC19590019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 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) 1.99 5.43 -41.08 2 4 1 37 282.795 4
Mid Mid (pH 6-8) 1.99 5.31 -43.3 2 4 1 37 282.795 4
Mid Mid (pH 6-8) 1.99 3.05 -8.16 1 4 0 36 281.787 4

Activity (Go SEA)

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