UCSF

ZINC09043014

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 34 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) 4.41 12.25 -54.92 0 7 -1 100 479.509 7
Mid Mid (pH 6-8) 3.83 1.5 -13.76 0 7 0 93 480.517 7
Lo Low (pH 4.5-6) 4.41 11.43 -16.56 1 7 0 97 480.517 7

Activity (Go SEA)

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