UCSF

ZINC09087143

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 26 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) 3.23 5.86 -58.34 1 5 -1 81 435.681 5
Mid Mid (pH 6-8) 3.68 5.8 -16.68 2 5 0 78 436.689 4

Activity (Go SEA)

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