UCSF

ZINC09123747

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 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) 5.27 12.95 -56.89 0 8 -1 119 490.542 5
Mid Mid (pH 6-8) 5.71 12.74 -21.34 1 8 0 116 491.55 4

Activity (Go SEA)

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