UCSF

ZINC09042970

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 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) 2.48 6.91 -56.96 0 9 -1 108 479.509 9
Mid Mid (pH 6-8) 1.90 0.44 -57.95 1 9 1 103 481.525 9
Mid Mid (pH 6-8) 2.48 9.25 -74.43 1 9 0 110 480.517 9

Activity (Go SEA)

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