UCSF

ZINC44684829

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.74 7.24 -35.34 2 3 1 29 288.44 4
Hi High (pH 8-9.5) 2.74 4.84 -5.91 1 3 0 28 287.432 4

Activity (Go SEA)

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