UCSF

ZINC21811934

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.97 7.69 -33.18 2 3 1 29 311.515 8
Hi High (pH 8-9.5) 3.97 6.46 -2.2 1 3 0 24 310.507 8
Lo Low (pH 4.5-6) 3.97 9.56 -111.86 3 3 2 30 312.523 8

Activity (Go SEA)

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