UCSF

ZINC31476830

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 35 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) 5.43 12.16 -108.19 1 5 -2 100 484.677 2
Lo Low (pH 4.5-6) 5.43 10.35 -49.15 2 5 -1 98 485.685 2
Lo Low (pH 4.5-6) 5.43 10.21 -45.14 2 5 -1 98 485.685 2

Activity (Go SEA)

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