UCSF

ZINC32021660

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.21 3.85 -50.49 3 3 1 44 234.367 4
Hi High (pH 8-9.5) 1.21 3.83 -3.19 2 3 0 42 233.359 4
Mid Mid (pH 6-8) 1.21 5.56 -31.72 3 3 1 43 234.367 4

Activity (Go SEA)

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