UCSF

ZINC36950611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 2.72 6.34 -100.85 4 3 2 41 244.423 11
Hi High (pH 8-9.5) 2.72 6.87 -39.53 3 3 1 44 243.415 11
Hi High (pH 8-9.5) 2.72 4.98 -35.12 3 3 1 37 243.415 11

Activity (Go SEA)

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