UCSF

ZINC20981271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 18 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) 1.92 4.79 -16.58 1 5 0 64 283.74 3
Hi High (pH 8-9.5) 1.99 3.88 -44.9 0 5 -1 70 282.732 3

Activity (Go SEA)

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