UCSF

ZINC41653415

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 3.98 9.17 -49.57 2 3 1 37 407.17 7
Hi High (pH 8-9.5) 3.98 8.2 -8.39 1 3 0 32 406.162 7

Activity (Go SEA)

Rings

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