UCSF

ZINC36976731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.11 6.88 -102.41 4 4 2 50 283.46 5
Hi High (pH 8-9.5) 2.11 6.56 -43.88 3 4 1 46 282.452 5

Activity (Go SEA)

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