UCSF

ZINC44518009

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 2.16 5.24 -92.2 4 3 2 41 242.407 3
Hi High (pH 8-9.5) 2.16 4.16 -32.13 3 3 1 37 241.399 3

Activity (Go SEA)

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