UCSF

ZINC04125684

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 28 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) 2.35 2.93 -15.4 4 9 0 154 375.344 3
Lo Low (pH 4.5-6) 2.35 3.18 -68.32 5 9 1 155 376.352 3

Activity (Go SEA)

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