UCSF

ZINC32218013

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 8 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) 0.27 1.93 -115.33 4 2 2 33 116.208 2
Mid Mid (pH 6-8) 0.27 0.57 -35.9 3 2 1 29 115.2 2

Activity (Go SEA)

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