UCSF

ZINC34324901

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 29 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) -0.08 4.6 -19.67 2 10 0 125 416.463 7
Mid Mid (pH 6-8) -0.08 4.95 -59.28 3 10 1 127 417.471 7

Activity (Go SEA)

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