UCSF

ZINC32297279

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 22 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) 1.05 2.74 -10.71 1 5 0 62 303.358 5
Mid Mid (pH 6-8) 1.05 5.08 -46.99 2 5 1 63 304.366 5

Activity (Go SEA)

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