UCSF

ZINC27987000

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 22 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) 3.74 11.89 -42.54 1 3 1 22 312.824 4
Hi High (pH 8-9.5) 3.74 10.72 -7.09 0 3 0 21 311.816 4

Activity (Go SEA)

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