UCSF

ZINC32009408

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 1.01 2.49 -47.85 3 3 1 44 197.302 6
Mid Mid (pH 6-8) 1.01 4.32 -114.58 4 3 2 45 198.31 6
Mid Mid (pH 6-8) 1.01 3.32 -29.9 3 3 1 44 197.302 6

Activity (Go SEA)

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