UCSF

ZINC24985706

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 32 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) 2.38 8.57 -41.83 4 7 1 91 477.054 7
Hi High (pH 8-9.5) 2.38 8.11 -14.03 3 7 0 90 476.046 7
Mid Mid (pH 6-8) 2.38 9.29 -53.91 4 7 1 95 477.054 7

Activity (Go SEA)

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