UCSF

ZINC38032177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 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) 2.12 2.07 -13.98 3 5 0 79 273.288 4
Hi High (pH 8-9.5) 2.12 3.15 -59.58 2 5 -1 82 272.28 4

Activity (Go SEA)

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