UCSF

ZINC32205726

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 13 No

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) 1.24 2.7 -10.41 1 5 0 83 181.147 2
Mid Mid (pH 6-8) 1.24 3.46 -33.89 0 5 -1 86 180.139 2

Activity (Go SEA)

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