UCSF

ZINC27546947

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 23 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) 4.24 3.84 -22.33 3 5 0 79 309.321 3
Hi High (pH 8-9.5) 4.24 4.86 -64.76 2 5 -1 82 308.313 3

Activity (Go SEA)

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