UCSF

ZINC52262679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 2.01 2.32 -37.8 2 4 -1 81 243.666 4
Hi High (pH 8-9.5) 2.01 4.21 -101.02 1 4 -2 83 242.658 4

Activity (Go SEA)

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