UCSF

ZINC32185225

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 20 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) 0.44 1.55 -90.16 2 7 0 103 300.336 4
Mid Mid (pH 6-8) 0.44 0.18 -56.59 1 7 -1 99 299.328 4

Activity (Go SEA)

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