UCSF

ZINC20542900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 28 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) 2.05 9.38 -54.03 2 7 1 77 385.536 7
Hi High (pH 8-9.5) 2.05 7.42 -10.35 1 7 0 76 384.528 7

Activity (Go SEA)

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