UCSF

ZINC08744115

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 38 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) 4.42 14.48 -73.26 1 9 0 120 515.566 10
Hi High (pH 8-9.5) 4.42 11.94 -53.7 0 9 -1 119 514.558 10
Mid Mid (pH 6-8) 4.87 14.29 -53.63 2 9 1 117 516.574 9

Activity (Go SEA)

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