UCSF

ZINC32625357

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) -1.27 2.42 -91.36 2 5 0 77 184.195 2
Mid Mid (pH 6-8) -1.27 0.99 -60.49 1 5 -1 72 183.187 2

Activity (Go SEA)

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