UCSF

ZINC32086754

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 21 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) 2.53 6.85 -50.23 3 3 1 44 325.263 6
Mid Mid (pH 6-8) 2.53 6.44 -100.96 4 3 2 45 326.271 6

Activity (Go SEA)

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