UCSF

ZINC09413666

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 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) 3.53 7.71 -62.86 1 7 -1 99 458.49 9
Mid Mid (pH 6-8) 3.98 8.03 -24.66 2 7 0 96 459.498 8
Mid Mid (pH 6-8) 2.95 -2.22 -15.85 1 7 0 93 459.498 9

Activity (Go SEA)

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