UCSF

ZINC09370459

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 2.62 9.18 -60.95 0 9 -1 122 478.506 7
Mid Mid (pH 6-8) 3.07 8.7 -23.52 1 9 0 119 479.514 6
Lo Low (pH 4.5-6) 3.07 8.99 -58.7 2 9 1 120 480.522 6

Activity (Go SEA)

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