UCSF

ZINC41718702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 3.48 9.36 -43.36 1 4 0 63 265.268 3
Hi High (pH 8-9.5) 3.48 8.94 -54.23 0 4 -1 62 264.26 3

Activity (Go SEA)

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