UCSF

ZINC53658900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 2.98 9.51 -100.69 3 2 2 21 268.832 5
Hi High (pH 8-9.5) 2.98 7.27 -38.59 2 2 1 20 267.824 5

Activity (Go SEA)

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