UCSF

ZINC19996061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 32 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) 5.05 10.46 -21.04 2 6 0 83 446.576 7
Hi High (pH 8-9.5) 5.05 10.53 -42.3 1 6 -1 81 445.568 7

Activity (Go SEA)

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