UCSF

ZINC20495171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 24 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) 3.07 5.97 -25.14 2 6 0 92 358.448 6
Hi High (pH 8-9.5) 3.99 2.39 -117.79 0 6 -2 98 356.432 6

Activity (Go SEA)

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